|
psi4/__init__.py
|
50
|
36
|
0
|
14
|
72.00%
|
|
psi4/driver/__init__.py
|
25
|
25
|
0
|
0
|
100.00%
|
|
psi4/driver/aliases.py
|
54
|
20
|
0
|
34
|
37.04%
|
|
psi4/driver/dependency_check.py
|
14
|
11
|
0
|
3
|
78.57%
|
|
psi4/driver/diatomic.py
|
159
|
92
|
0
|
67
|
57.86%
|
|
psi4/driver/driver.py
|
788
|
497
|
0
|
291
|
63.07%
|
|
psi4/driver/driver_cbs.py
|
781
|
666
|
0
|
115
|
85.28%
|
|
psi4/driver/driver_findif.py
|
338
|
329
|
0
|
9
|
97.34%
|
|
psi4/driver/driver_nbody.py
|
348
|
333
|
0
|
15
|
95.69%
|
|
psi4/driver/driver_nbody_helper.py
|
124
|
102
|
0
|
22
|
82.26%
|
|
psi4/driver/driver_util.py
|
154
|
55
|
0
|
99
|
35.71%
|
|
psi4/driver/endorsed_plugins.py
|
36
|
35
|
0
|
1
|
97.22%
|
|
psi4/driver/frac.py
|
458
|
190
|
0
|
268
|
41.48%
|
|
psi4/driver/gaussian_n.py
|
115
|
114
|
0
|
1
|
99.13%
|
|
psi4/driver/inputparser.py
|
429
|
249
|
0
|
180
|
58.04%
|
|
psi4/driver/ipi_broker.py
|
73
|
16
|
0
|
57
|
21.92%
|
|
psi4/driver/mdi_engine.py
|
194
|
40
|
0
|
154
|
20.62%
|
|
psi4/driver/molutil.py
|
83
|
76
|
0
|
7
|
91.57%
|
|
psi4/driver/p4util/__init__.py
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/driver/p4util/exceptions.py
|
91
|
60
|
0
|
31
|
65.93%
|
|
psi4/driver/p4util/fchk.py
|
66
|
9
|
0
|
57
|
13.64%
|
|
psi4/driver/p4util/fcidump.py
|
223
|
16
|
0
|
207
|
7.17%
|
|
psi4/driver/p4util/inpsight.py
|
538
|
265
|
0
|
273
|
49.26%
|
|
psi4/driver/p4util/numpy_helper.py
|
292
|
264
|
0
|
28
|
90.41%
|
|
psi4/driver/p4util/optproc.py
|
67
|
51
|
0
|
16
|
76.12%
|
|
psi4/driver/p4util/p4regex.py
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/driver/p4util/procutil.py
|
281
|
115
|
0
|
166
|
40.93%
|
|
psi4/driver/p4util/python_helpers.py
|
462
|
367
|
0
|
95
|
79.44%
|
|
psi4/driver/p4util/solvers.py
|
363
|
319
|
0
|
44
|
87.88%
|
|
psi4/driver/p4util/spectrum.py
|
87
|
21
|
0
|
66
|
24.14%
|
|
psi4/driver/p4util/testing.py
|
97
|
93
|
0
|
4
|
95.88%
|
|
psi4/driver/p4util/text.py
|
129
|
51
|
0
|
78
|
39.53%
|
|
psi4/driver/p4util/util.py
|
89
|
48
|
0
|
41
|
53.93%
|
|
psi4/driver/p4util/writer.py
|
126
|
117
|
0
|
9
|
92.86%
|
|
psi4/driver/pluginutil.py
|
69
|
13
|
0
|
56
|
18.84%
|
|
psi4/driver/procrouting/__init__.py
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/__init__.py
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/dft_builder.py
|
210
|
193
|
0
|
17
|
91.90%
|
|
psi4/driver/procrouting/dft/dh_functionals.py
|
39
|
39
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/gga_functionals.py
|
28
|
28
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/hyb_functionals.py
|
46
|
46
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/lda_functionals.py
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/libxc_functionals.py
|
108
|
108
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/mgga_functionals.py
|
22
|
22
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/dft/superfunctionals.py
|
151
|
63
|
0
|
88
|
41.72%
|
|
psi4/driver/procrouting/empirical_dispersion.py
|
103
|
102
|
0
|
1
|
99.03%
|
|
psi4/driver/procrouting/findif_response_utils/__init__.py
|
3
|
3
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/findif_response_utils/data_collection_helper.py
|
35
|
6
|
0
|
29
|
17.14%
|
|
psi4/driver/procrouting/findif_response_utils/db_helper.py
|
71
|
10
|
0
|
61
|
14.08%
|
|
psi4/driver/procrouting/interface_cfour.py
|
192
|
21
|
0
|
171
|
10.94%
|
|
psi4/driver/procrouting/libcubeprop/__init__.py
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/libcubeprop/cubeprop.py
|
13
|
5
|
0
|
8
|
38.46%
|
|
psi4/driver/procrouting/mcscf/__init__.py
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/mcscf/augmented_hessian.py
|
79
|
71
|
0
|
8
|
89.87%
|
|
psi4/driver/procrouting/mcscf/mcscf_solver.py
|
216
|
144
|
0
|
72
|
66.67%
|
|
psi4/driver/procrouting/proc.py
|
3,116
|
2,229
|
0
|
887
|
71.53%
|
|
psi4/driver/procrouting/proc_table.py
|
29
|
29
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/proc_util.py
|
183
|
163
|
0
|
20
|
89.07%
|
|
psi4/driver/procrouting/response/__init__.py
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/response/scf_products.py
|
316
|
287
|
0
|
29
|
90.82%
|
|
psi4/driver/procrouting/response/scf_response.py
|
259
|
213
|
0
|
46
|
82.24%
|
|
psi4/driver/procrouting/roa.py
|
48
|
5
|
0
|
43
|
10.42%
|
|
psi4/driver/procrouting/sapt/__init__.py
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/sapt/fisapt_proc.py
|
121
|
89
|
0
|
32
|
73.55%
|
|
psi4/driver/procrouting/sapt/sapt_jk_terms.py
|
414
|
412
|
0
|
2
|
99.52%
|
|
psi4/driver/procrouting/sapt/sapt_mp2_terms.py
|
183
|
183
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/sapt/sapt_proc.py
|
302
|
291
|
0
|
11
|
96.36%
|
|
psi4/driver/procrouting/sapt/sapt_sf_terms.py
|
164
|
154
|
0
|
10
|
93.90%
|
|
psi4/driver/procrouting/sapt/sapt_util.py
|
112
|
97
|
0
|
15
|
86.61%
|
|
psi4/driver/procrouting/scf_proc/__init__.py
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/driver/procrouting/scf_proc/scf_iterator.py
|
494
|
436
|
0
|
58
|
88.26%
|
|
psi4/driver/procrouting/solvent/__init__.py
|
7
|
6
|
0
|
1
|
85.71%
|
|
psi4/driver/procrouting/solvent/efp.py
|
56
|
55
|
0
|
1
|
98.21%
|
|
psi4/driver/procrouting/solvent/pol_embed.py
|
112
|
3
|
0
|
109
|
2.68%
|
|
psi4/driver/psifiles.py
|
192
|
192
|
0
|
0
|
100.00%
|
|
psi4/driver/qmmm.py
|
87
|
18
|
0
|
69
|
20.69%
|
|
psi4/driver/schema_wrapper.py
|
270
|
170
|
0
|
100
|
62.96%
|
|
psi4/driver/util/filesystem.py
|
11
|
7
|
0
|
4
|
63.64%
|
|
psi4/driver/util/tty/__init__.py
|
93
|
24
|
0
|
69
|
25.81%
|
|
psi4/driver/util/tty/color.py
|
67
|
23
|
0
|
44
|
34.33%
|
|
psi4/driver/wrapper_autofrag.py
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/driver/wrapper_database.py
|
330
|
250
|
0
|
80
|
75.76%
|
|
psi4/extras.py
|
64
|
40
|
0
|
24
|
62.50%
|
|
psi4/header.py
|
22
|
21
|
0
|
1
|
95.45%
|
|
psi4/metadata.py
|
16
|
14
|
0
|
2
|
87.50%
|
|
psi4/src/core.cc
|
636
|
510
|
0
|
126
|
80.19%
|
|
psi4/src/create_new_plugin.cc
|
93
|
1
|
0
|
92
|
1.08%
|
|
psi4/src/export_benchmarks.cc
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/export_blas_lapack.cc
|
37
|
37
|
0
|
0
|
100.00%
|
|
psi4/src/export_cubeprop.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/export_diis.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/export_fock.cc
|
131
|
128
|
0
|
3
|
97.71%
|
|
psi4/src/export_functional.cc
|
238
|
219
|
0
|
19
|
92.02%
|
|
psi4/src/export_mints.cc
|
940
|
929
|
0
|
11
|
98.83%
|
|
psi4/src/export_misc.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/export_oeprop.cc
|
25
|
25
|
0
|
0
|
100.00%
|
|
psi4/src/export_options.cc
|
27
|
27
|
0
|
0
|
100.00%
|
|
psi4/src/export_pcm.cc
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/export_plugins.cc
|
46
|
12
|
0
|
34
|
26.09%
|
|
psi4/src/export_psio.cc
|
38
|
38
|
0
|
0
|
100.00%
|
|
psi4/src/export_trans.cc
|
108
|
108
|
0
|
0
|
100.00%
|
|
psi4/src/export_wavefunction.cc
|
272
|
272
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/adc/adc.cc
|
84
|
78
|
0
|
6
|
92.86%
|
|
psi4/src/psi4/adc/adc_main.cc
|
19
|
19
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/adc/amps_write.cc
|
46
|
46
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/adc/compute_energy.cc
|
80
|
79
|
0
|
1
|
98.75%
|
|
psi4/src/psi4/adc/construct_sigma.cc
|
55
|
54
|
0
|
1
|
98.18%
|
|
psi4/src/psi4/adc/denominator.cc
|
38
|
37
|
0
|
1
|
97.37%
|
|
psi4/src/psi4/adc/diagonalize.cc
|
152
|
152
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/adc/differentiation.cc
|
36
|
36
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/adc/init_tensors.cc
|
115
|
115
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/adc/prepare_tensors.cc
|
130
|
129
|
0
|
1
|
99.23%
|
|
psi4/src/psi4/cc/amps.cc
|
85
|
64
|
0
|
21
|
75.29%
|
|
psi4/src/psi4/cc/ccdensity/G.cc
|
102
|
102
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Gabcd.cc
|
79
|
73
|
0
|
6
|
92.41%
|
|
psi4/src/psi4/cc/ccdensity/Gciab.cc
|
842
|
834
|
0
|
8
|
99.05%
|
|
psi4/src/psi4/cc/ccdensity/Gibja.cc
|
603
|
597
|
0
|
6
|
99.00%
|
|
psi4/src/psi4/cc/ccdensity/Gijab.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Gijab_RHF.cc
|
481
|
481
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Gijab_ROHF.cc
|
889
|
882
|
0
|
7
|
99.21%
|
|
psi4/src/psi4/cc/ccdensity/Gijab_UHF.cc
|
906
|
899
|
0
|
7
|
99.23%
|
|
psi4/src/psi4/cc/ccdensity/Gijka.cc
|
756
|
756
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Gijkl.cc
|
56
|
56
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Iab.cc
|
584
|
584
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Iai.cc
|
900
|
900
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Iia.cc
|
567
|
567
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Iij.cc
|
884
|
884
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/Params.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/V.cc
|
172
|
172
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/V_cc2.cc
|
48
|
26
|
0
|
22
|
54.17%
|
|
psi4/src/psi4/cc/ccdensity/add_core_ROHF.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/add_ref.cc
|
20
|
0
|
0
|
20
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/add_ref_RHF.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/add_ref_ROHF.cc
|
25
|
25
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/add_ref_UHF.cc
|
22
|
22
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/ael.cc
|
33
|
0
|
0
|
33
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/build_A.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_A_RHF.cc
|
49
|
49
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_A_ROHF.cc
|
146
|
146
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_A_UHF.cc
|
98
|
98
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_X.cc
|
135
|
135
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_Z.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_Z_RHF.cc
|
28
|
28
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_Z_ROHF.cc
|
78
|
78
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/build_Z_UHF.cc
|
84
|
80
|
0
|
4
|
95.24%
|
|
psi4/src/psi4/cc/ccdensity/build_ex_tdensity.cc
|
261
|
131
|
0
|
130
|
50.19%
|
|
psi4/src/psi4/cc/ccdensity/cache.cc
|
572
|
375
|
0
|
197
|
65.56%
|
|
psi4/src/psi4/cc/ccdensity/ccdensity.cc
|
283
|
278
|
0
|
5
|
98.23%
|
|
psi4/src/psi4/cc/ccdensity/classify.cc
|
74
|
0
|
0
|
74
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/deanti.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/deanti_RHF.cc
|
125
|
58
|
0
|
67
|
46.40%
|
|
psi4/src/psi4/cc/ccdensity/deanti_ROHF.cc
|
206
|
119
|
0
|
87
|
57.77%
|
|
psi4/src/psi4/cc/ccdensity/deanti_UHF.cc
|
237
|
65
|
0
|
172
|
27.43%
|
|
psi4/src/psi4/cc/ccdensity/distribute.cc
|
44
|
0
|
0
|
44
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/dump_RHF.cc
|
53
|
53
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/dump_ROHF.cc
|
90
|
90
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/dump_UHF.cc
|
332
|
332
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/energy.cc
|
9
|
1
|
0
|
8
|
11.11%
|
|
psi4/src/psi4/cc/ccdensity/energy_RHF.cc
|
121
|
1
|
0
|
120
|
0.83%
|
|
psi4/src/psi4/cc/ccdensity/energy_ROHF.cc
|
189
|
1
|
0
|
188
|
0.53%
|
|
psi4/src/psi4/cc/ccdensity/energy_UHF.cc
|
203
|
1
|
0
|
202
|
0.49%
|
|
psi4/src/psi4/cc/ccdensity/ex_oscillator_strength.cc
|
160
|
92
|
0
|
68
|
57.50%
|
|
psi4/src/psi4/cc/ccdensity/ex_rotational_strength.cc
|
119
|
119
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/ex_sort_td_rohf.cc
|
117
|
116
|
0
|
1
|
99.15%
|
|
psi4/src/psi4/cc/ccdensity/ex_sort_td_uhf.cc
|
130
|
1
|
0
|
129
|
0.77%
|
|
psi4/src/psi4/cc/ccdensity/ex_td_cleanup.cc
|
17
|
17
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/ex_td_print.cc
|
14
|
14
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/ex_td_setup.cc
|
259
|
131
|
0
|
128
|
50.58%
|
|
psi4/src/psi4/cc/ccdensity/ex_tdensity.cc
|
14
|
9
|
0
|
5
|
64.29%
|
|
psi4/src/psi4/cc/ccdensity/ex_tdensity_intermediates.cc
|
536
|
312
|
0
|
224
|
58.21%
|
|
psi4/src/psi4/cc/ccdensity/file_build.cc
|
108
|
0
|
0
|
108
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/fold.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/fold_RHF.cc
|
226
|
118
|
0
|
108
|
52.21%
|
|
psi4/src/psi4/cc/ccdensity/fold_ROHF.cc
|
510
|
339
|
0
|
171
|
66.47%
|
|
psi4/src/psi4/cc/ccdensity/fold_UHF.cc
|
510
|
342
|
0
|
168
|
67.06%
|
|
psi4/src/psi4/cc/ccdensity/get_frozen.cc
|
40
|
0
|
0
|
40
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/get_moinfo.cc
|
185
|
180
|
0
|
5
|
97.30%
|
|
psi4/src/psi4/cc/ccdensity/get_params.cc
|
66
|
58
|
0
|
8
|
87.88%
|
|
psi4/src/psi4/cc/ccdensity/get_rho_params.cc
|
145
|
132
|
0
|
13
|
91.03%
|
|
psi4/src/psi4/cc/ccdensity/get_td_params.cc
|
81
|
40
|
0
|
41
|
49.38%
|
|
psi4/src/psi4/cc/ccdensity/globals.h
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/idx_error.cc
|
8
|
0
|
0
|
8
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/idx_permute.cc
|
80
|
0
|
0
|
80
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/kinetic.cc
|
43
|
43
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/lag.cc
|
149
|
149
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/ltdensity.cc
|
653
|
327
|
0
|
326
|
50.08%
|
|
psi4/src/psi4/cc/ccdensity/ltdensity_intermediates.cc
|
531
|
307
|
0
|
224
|
57.82%
|
|
psi4/src/psi4/cc/ccdensity/norm.cc
|
157
|
7
|
0
|
150
|
4.46%
|
|
psi4/src/psi4/cc/ccdensity/onepdm.cc
|
421
|
421
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/oscillator_strength.cc
|
153
|
85
|
0
|
68
|
55.56%
|
|
psi4/src/psi4/cc/ccdensity/relax_D.cc
|
67
|
67
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/relax_I.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/relax_I_RHF.cc
|
67
|
67
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/relax_I_ROHF.cc
|
87
|
87
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/relax_I_UHF.cc
|
84
|
84
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/rotational_strength.cc
|
116
|
116
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/rtdensity.cc
|
353
|
178
|
0
|
175
|
50.42%
|
|
psi4/src/psi4/cc/ccdensity/setup_LR.cc
|
394
|
394
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortI.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortI_RHF.cc
|
61
|
61
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortI_ROHF.cc
|
95
|
95
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortI_UHF.cc
|
107
|
107
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sort_ltd_rohf.cc
|
107
|
107
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sort_ltd_uhf.cc
|
113
|
1
|
0
|
112
|
0.88%
|
|
psi4/src/psi4/cc/ccdensity/sort_rtd_rohf.cc
|
107
|
107
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sort_rtd_uhf.cc
|
115
|
1
|
0
|
114
|
0.87%
|
|
psi4/src/psi4/cc/ccdensity/sortone.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortone_RHF.cc
|
70
|
70
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortone_ROHF.cc
|
120
|
120
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/sortone_UHF.cc
|
124
|
124
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/td_cleanup.cc
|
25
|
20
|
0
|
5
|
80.00%
|
|
psi4/src/psi4/cc/ccdensity/td_print.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/td_setup.cc
|
259
|
131
|
0
|
128
|
50.58%
|
|
psi4/src/psi4/cc/ccdensity/tdensity.cc
|
13
|
8
|
0
|
5
|
61.54%
|
|
psi4/src/psi4/cc/ccdensity/transL.cc
|
29
|
29
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/transdip.cc
|
28
|
28
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/transp.cc
|
29
|
29
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/twopdm.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_Gabcd.cc
|
133
|
133
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_Gciab.cc
|
762
|
734
|
0
|
28
|
96.33%
|
|
psi4/src/psi4/cc/ccdensity/x_Gciab_uhf.cc
|
475
|
447
|
0
|
28
|
94.11%
|
|
psi4/src/psi4/cc/ccdensity/x_Gibja.cc
|
569
|
475
|
0
|
94
|
83.48%
|
|
psi4/src/psi4/cc/ccdensity/x_Gibja_uhf.cc
|
564
|
470
|
0
|
94
|
83.33%
|
|
psi4/src/psi4/cc/ccdensity/x_Gijab.cc
|
1,259
|
1,150
|
0
|
109
|
91.34%
|
|
psi4/src/psi4/cc/ccdensity/x_Gijab_uhf.cc
|
1,254
|
1,145
|
0
|
109
|
91.31%
|
|
psi4/src/psi4/cc/ccdensity/x_Gijka.cc
|
686
|
658
|
0
|
28
|
95.92%
|
|
psi4/src/psi4/cc/ccdensity/x_Gijka_uhf.cc
|
681
|
653
|
0
|
28
|
95.89%
|
|
psi4/src/psi4/cc/ccdensity/x_Gijkl.cc
|
129
|
129
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_V.cc
|
130
|
130
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_oe_intermediates.cc
|
534
|
534
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_oe_intermediates_rhf.cc
|
593
|
133
|
0
|
460
|
22.43%
|
|
psi4/src/psi4/cc/ccdensity/x_onepdm.cc
|
148
|
148
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_onepdm_uhf.cc
|
159
|
103
|
0
|
56
|
64.78%
|
|
psi4/src/psi4/cc/ccdensity/x_te_intermediates.cc
|
530
|
530
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_te_intermediates_rhf.cc
|
583
|
185
|
0
|
398
|
31.73%
|
|
psi4/src/psi4/cc/ccdensity/x_xi1.cc
|
488
|
362
|
0
|
126
|
74.18%
|
|
psi4/src/psi4/cc/ccdensity/x_xi1_connected.cc
|
369
|
369
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/x_xi1_rhf.cc
|
171
|
131
|
0
|
40
|
76.61%
|
|
psi4/src/psi4/cc/ccdensity/x_xi1_uhf.cc
|
440
|
314
|
0
|
126
|
71.36%
|
|
psi4/src/psi4/cc/ccdensity/x_xi2.cc
|
1,013
|
735
|
0
|
278
|
72.56%
|
|
psi4/src/psi4/cc/ccdensity/x_xi2_rhf.cc
|
318
|
284
|
0
|
34
|
89.31%
|
|
psi4/src/psi4/cc/ccdensity/x_xi2_uhf.cc
|
837
|
734
|
0
|
103
|
87.69%
|
|
psi4/src/psi4/cc/ccdensity/x_xi_check.cc
|
41
|
0
|
0
|
41
|
0.00%
|
|
psi4/src/psi4/cc/ccdensity/x_xi_intermediates.cc
|
375
|
375
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccdensity/zero_pdm.cc
|
197
|
54
|
0
|
143
|
27.41%
|
|
psi4/src/psi4/cc/ccenergy/AO_contribute.cc
|
72
|
72
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/BT2.cc
|
188
|
165
|
0
|
23
|
87.77%
|
|
psi4/src/psi4/cc/ccenergy/BT2_AO.cc
|
380
|
368
|
0
|
12
|
96.84%
|
|
psi4/src/psi4/cc/ccenergy/CT2.cc
|
287
|
287
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/DT2.cc
|
24
|
24
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/ET2.cc
|
95
|
95
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/FT2.cc
|
140
|
118
|
0
|
22
|
84.29%
|
|
psi4/src/psi4/cc/ccenergy/FT2_cc2.cc
|
81
|
0
|
0
|
81
|
0.00%
|
|
psi4/src/psi4/cc/ccenergy/Fae.cc
|
249
|
249
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/FaetT2.cc
|
72
|
72
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Fme.cc
|
66
|
66
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Fmi.cc
|
212
|
212
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/FmitT2.cc
|
72
|
72
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Local.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Params.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Wmbej.cc
|
535
|
535
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/WmbejT2.cc
|
256
|
256
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Wmnij.cc
|
151
|
151
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/WmnijT2.cc
|
54
|
54
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/Z.cc
|
69
|
69
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/ZT2.cc
|
82
|
82
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/amp_write.cc
|
155
|
155
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/analyze.cc
|
83
|
1
|
0
|
82
|
1.20%
|
|
psi4/src/psi4/cc/ccenergy/cache.cc
|
572
|
376
|
0
|
196
|
65.73%
|
|
psi4/src/psi4/cc/ccenergy/cc2_Wabei.cc
|
257
|
136
|
0
|
121
|
52.92%
|
|
psi4/src/psi4/cc/ccenergy/cc2_WabeiT2.cc
|
99
|
56
|
0
|
43
|
56.57%
|
|
psi4/src/psi4/cc/ccenergy/cc2_WabijT2.cc
|
24
|
0
|
0
|
24
|
0.00%
|
|
psi4/src/psi4/cc/ccenergy/cc2_Wmbij.cc
|
395
|
187
|
0
|
208
|
47.34%
|
|
psi4/src/psi4/cc/ccenergy/cc2_WmbijT2.cc
|
100
|
57
|
0
|
43
|
57.00%
|
|
psi4/src/psi4/cc/ccenergy/cc2_Wmnij.cc
|
245
|
120
|
0
|
125
|
48.98%
|
|
psi4/src/psi4/cc/ccenergy/cc2_faeT2.cc
|
100
|
14
|
0
|
86
|
14.00%
|
|
psi4/src/psi4/cc/ccenergy/cc2_fmiT2.cc
|
100
|
14
|
0
|
86
|
14.00%
|
|
psi4/src/psi4/cc/ccenergy/cc2_t2.cc
|
17
|
17
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/cc3.cc
|
138
|
137
|
0
|
1
|
99.28%
|
|
psi4/src/psi4/cc/ccenergy/cc3_Wabei.cc
|
741
|
393
|
0
|
348
|
53.04%
|
|
psi4/src/psi4/cc/ccenergy/cc3_Wamef.cc
|
181
|
62
|
0
|
119
|
34.25%
|
|
psi4/src/psi4/cc/ccenergy/cc3_Wmbij.cc
|
357
|
159
|
0
|
198
|
44.54%
|
|
psi4/src/psi4/cc/ccenergy/cc3_Wmnie.cc
|
187
|
65
|
0
|
122
|
34.76%
|
|
psi4/src/psi4/cc/ccenergy/cc3_Wmnij.cc
|
219
|
98
|
0
|
121
|
44.75%
|
|
psi4/src/psi4/cc/ccenergy/ccenergy.cc
|
420
|
289
|
0
|
131
|
68.81%
|
|
psi4/src/psi4/cc/ccenergy/converged.cc
|
191
|
191
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/d1diag.cc
|
89
|
89
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/d2diag.cc
|
51
|
51
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/denom.cc
|
44
|
43
|
0
|
1
|
97.73%
|
|
psi4/src/psi4/cc/ccenergy/diagnostic.cc
|
71
|
71
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/diis.cc
|
33
|
31
|
0
|
2
|
93.94%
|
|
psi4/src/psi4/cc/ccenergy/diis_RHF.cc
|
125
|
125
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/diis_ROHF.cc
|
214
|
214
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/diis_UHF.cc
|
220
|
220
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/dijabT2.cc
|
53
|
52
|
0
|
1
|
98.11%
|
|
psi4/src/psi4/cc/ccenergy/energy.cc
|
86
|
86
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/fock_build.cc
|
169
|
169
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/form_df_ints.cc
|
156
|
1
|
0
|
155
|
0.64%
|
|
psi4/src/psi4/cc/ccenergy/get_moinfo.cc
|
215
|
214
|
0
|
1
|
99.53%
|
|
psi4/src/psi4/cc/ccenergy/get_params.cc
|
145
|
120
|
0
|
25
|
82.76%
|
|
psi4/src/psi4/cc/ccenergy/halftrans.cc
|
47
|
45
|
0
|
2
|
95.74%
|
|
psi4/src/psi4/cc/ccenergy/init_amps.cc
|
119
|
118
|
0
|
1
|
99.16%
|
|
psi4/src/psi4/cc/ccenergy/lmp2.cc
|
126
|
1
|
0
|
125
|
0.79%
|
|
psi4/src/psi4/cc/ccenergy/local.cc
|
150
|
1
|
0
|
149
|
0.67%
|
|
psi4/src/psi4/cc/ccenergy/mp2_energy.cc
|
111
|
110
|
0
|
1
|
99.10%
|
|
psi4/src/psi4/cc/ccenergy/new_d1diag.cc
|
76
|
76
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/pair_energies.cc
|
129
|
99
|
0
|
30
|
76.74%
|
|
psi4/src/psi4/cc/ccenergy/priority.cc
|
906
|
906
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/rotate.cc
|
450
|
426
|
0
|
24
|
94.67%
|
|
psi4/src/psi4/cc/ccenergy/sort_amps.cc
|
72
|
72
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/spinad_amps.cc
|
57
|
57
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/status.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/t1.cc
|
248
|
246
|
0
|
2
|
99.19%
|
|
psi4/src/psi4/cc/ccenergy/t1_ijab.cc
|
203
|
31
|
0
|
172
|
15.27%
|
|
psi4/src/psi4/cc/ccenergy/t2.cc
|
33
|
32
|
0
|
1
|
96.97%
|
|
psi4/src/psi4/cc/ccenergy/tau.cc
|
232
|
232
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/taut.cc
|
222
|
222
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/tsave.cc
|
41
|
41
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccenergy/update.cc
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/FDD.cc
|
202
|
202
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/FSD.cc
|
71
|
71
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/Local.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/Params.h
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WabefDD.cc
|
387
|
374
|
0
|
13
|
96.64%
|
|
psi4/src/psi4/cc/cceom/WabejDS.cc
|
132
|
132
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WamefSD.cc
|
95
|
95
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WbmfeDS.cc
|
194
|
194
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WmaijDS.cc
|
112
|
112
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WmbejDD.cc
|
288
|
288
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WmnefDD.cc
|
306
|
306
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WmnieSD.cc
|
70
|
70
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WmnijDD.cc
|
69
|
69
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/WnmjeDS.cc
|
165
|
165
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/amp_write.cc
|
288
|
288
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/c_clean.cc
|
92
|
69
|
0
|
23
|
75.00%
|
|
psi4/src/psi4/cc/cceom/cache.cc
|
573
|
377
|
0
|
196
|
65.79%
|
|
psi4/src/psi4/cc/cceom/cc2_hbar_extra.cc
|
15
|
15
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/cc2_sigma.cc
|
172
|
162
|
0
|
10
|
94.19%
|
|
psi4/src/psi4/cc/cceom/cc3_HC1.cc
|
1,416
|
349
|
0
|
1,067
|
24.65%
|
|
psi4/src/psi4/cc/cceom/cc3_HC1ET1.cc
|
454
|
446
|
0
|
8
|
98.24%
|
|
psi4/src/psi4/cc/cceom/cceom.cc
|
60
|
60
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/check_sum.cc
|
59
|
0
|
0
|
59
|
0.00%
|
|
psi4/src/psi4/cc/cceom/dgeev_eom.cc
|
26
|
26
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/diag.cc
|
715
|
615
|
0
|
100
|
86.01%
|
|
psi4/src/psi4/cc/cceom/diagSS.cc
|
523
|
406
|
0
|
117
|
77.63%
|
|
psi4/src/psi4/cc/cceom/follow_root.cc
|
89
|
57
|
0
|
32
|
64.04%
|
|
psi4/src/psi4/cc/cceom/form_diagonal.cc
|
281
|
281
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/get_eom_params.cc
|
99
|
74
|
0
|
25
|
74.75%
|
|
psi4/src/psi4/cc/cceom/get_moinfo.cc
|
155
|
154
|
0
|
1
|
99.35%
|
|
psi4/src/psi4/cc/cceom/get_params.cc
|
90
|
67
|
0
|
23
|
74.44%
|
|
psi4/src/psi4/cc/cceom/globals.h
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/hbar_extra.cc
|
68
|
68
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/hbar_norms.cc
|
69
|
65
|
0
|
4
|
94.20%
|
|
psi4/src/psi4/cc/cceom/local.cc
|
214
|
1
|
0
|
213
|
0.47%
|
|
psi4/src/psi4/cc/cceom/local_guess.cc
|
105
|
1
|
0
|
104
|
0.95%
|
|
psi4/src/psi4/cc/cceom/norm.cc
|
105
|
52
|
0
|
53
|
49.52%
|
|
psi4/src/psi4/cc/cceom/norm_HC1.cc
|
158
|
0
|
0
|
158
|
0.00%
|
|
psi4/src/psi4/cc/cceom/overlap.cc
|
141
|
1
|
0
|
140
|
0.71%
|
|
psi4/src/psi4/cc/cceom/precondition.cc
|
221
|
118
|
0
|
103
|
53.39%
|
|
psi4/src/psi4/cc/cceom/restart.cc
|
224
|
206
|
0
|
18
|
91.96%
|
|
psi4/src/psi4/cc/cceom/restart_with_root.cc
|
107
|
59
|
0
|
48
|
55.14%
|
|
psi4/src/psi4/cc/cceom/rzero.cc
|
335
|
225
|
0
|
110
|
67.16%
|
|
psi4/src/psi4/cc/cceom/schmidt_add.cc
|
104
|
97
|
0
|
7
|
93.27%
|
|
psi4/src/psi4/cc/cceom/sigmaCC3.cc
|
395
|
392
|
0
|
3
|
99.24%
|
|
psi4/src/psi4/cc/cceom/sigmaCC3_RHF.cc
|
54
|
0
|
0
|
54
|
0.00%
|
|
psi4/src/psi4/cc/cceom/sigmaDD.cc
|
18
|
18
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/sigmaDS.cc
|
15
|
15
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/sigmaSD.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/sigmaSS.cc
|
92
|
92
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/sigma_full.cc
|
123
|
1
|
0
|
122
|
0.81%
|
|
psi4/src/psi4/cc/cceom/sort_C.cc
|
77
|
77
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cceom/sort_amps.cc
|
44
|
0
|
0
|
44
|
0.00%
|
|
psi4/src/psi4/cc/cceom/write_Rs.cc
|
70
|
63
|
0
|
7
|
90.00%
|
|
psi4/src/psi4/cc/cchbar/F.cc
|
500
|
470
|
0
|
30
|
94.00%
|
|
psi4/src/psi4/cc/cchbar/Fai.cc
|
703
|
1
|
0
|
702
|
0.14%
|
|
psi4/src/psi4/cc/cchbar/HET1_Wabef.cc
|
121
|
4
|
0
|
117
|
3.31%
|
|
psi4/src/psi4/cc/cchbar/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Params.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei.cc
|
29
|
29
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei_AAAA_UHF.cc
|
184
|
184
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei_ABAB_UHF.cc
|
222
|
222
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei_BABA_UHF.cc
|
179
|
179
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei_BBBB_UHF.cc
|
183
|
183
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei_RHF.cc
|
457
|
363
|
0
|
94
|
79.43%
|
|
psi4/src/psi4/cc/cchbar/Wabei_RHF_FT2_a.cc
|
71
|
0
|
0
|
71
|
0.00%
|
|
psi4/src/psi4/cc/cchbar/Wabei_ROHF.cc
|
762
|
762
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wabij.cc
|
2,112
|
1
|
0
|
2,111
|
0.05%
|
|
psi4/src/psi4/cc/cchbar/Wamef.cc
|
107
|
107
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wmbej.cc
|
639
|
639
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wmbij.cc
|
950
|
950
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/Wmnie.cc
|
137
|
137
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/cache.cc
|
572
|
377
|
0
|
195
|
65.91%
|
|
psi4/src/psi4/cc/cchbar/cc2_Wabei.cc
|
334
|
99
|
0
|
235
|
29.64%
|
|
psi4/src/psi4/cc/cchbar/cc2_Wmbej.cc
|
419
|
61
|
0
|
358
|
14.56%
|
|
psi4/src/psi4/cc/cchbar/cc2_Wmbij.cc
|
415
|
46
|
0
|
369
|
11.08%
|
|
psi4/src/psi4/cc/cchbar/cc2_Zmbej.cc
|
434
|
46
|
0
|
388
|
10.60%
|
|
psi4/src/psi4/cc/cchbar/cc3_HET1.cc
|
500
|
256
|
0
|
244
|
51.20%
|
|
psi4/src/psi4/cc/cchbar/cchbar.cc
|
91
|
84
|
0
|
7
|
92.31%
|
|
psi4/src/psi4/cc/cchbar/get_moinfo.cc
|
93
|
93
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/get_params.cc
|
17
|
14
|
0
|
3
|
82.35%
|
|
psi4/src/psi4/cc/cchbar/globals.h
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/norm_HET1.cc
|
314
|
176
|
0
|
138
|
56.05%
|
|
psi4/src/psi4/cc/cchbar/purge.cc
|
487
|
487
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/reference.cc
|
75
|
1
|
0
|
74
|
1.33%
|
|
psi4/src/psi4/cc/cchbar/sort_amps.cc
|
51
|
51
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/status.cc
|
5
|
1
|
0
|
4
|
20.00%
|
|
psi4/src/psi4/cc/cchbar/tau.cc
|
198
|
198
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cchbar/taut.cc
|
222
|
222
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/BL2_AO.cc
|
318
|
0
|
0
|
318
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/DL2.cc
|
95
|
95
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/FaeL2.cc
|
93
|
93
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/FmiL2.cc
|
89
|
89
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/G.cc
|
116
|
116
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/GL2.cc
|
165
|
165
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/L1.cc
|
471
|
444
|
0
|
27
|
94.27%
|
|
psi4/src/psi4/cc/cclambda/L1FL2.cc
|
210
|
210
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/L2.cc
|
30
|
30
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/L3_AAA.cc
|
392
|
0
|
0
|
392
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/L3_AAB.cc
|
385
|
0
|
0
|
385
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/Lamp_write.cc
|
154
|
154
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/Lmag.cc
|
20
|
0
|
0
|
20
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/Lnorm.cc
|
74
|
73
|
0
|
1
|
98.65%
|
|
psi4/src/psi4/cc/cclambda/Local.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/Lsave.cc
|
35
|
35
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/Params.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/WabeiL1.cc
|
27
|
0
|
0
|
27
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/WefabL2.cc
|
330
|
316
|
0
|
14
|
95.76%
|
|
psi4/src/psi4/cc/cclambda/WejabL2.cc
|
128
|
128
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/WijmbL2.cc
|
96
|
96
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/WijmnL2.cc
|
55
|
55
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/WmbejL2.cc
|
234
|
234
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/c_clean.cc
|
92
|
69
|
0
|
23
|
75.00%
|
|
psi4/src/psi4/cc/cclambda/cache.cc
|
572
|
375
|
0
|
197
|
65.56%
|
|
psi4/src/psi4/cc/cclambda/cc2_Gai.cc
|
61
|
11
|
0
|
50
|
18.03%
|
|
psi4/src/psi4/cc/cclambda/cc2_L1.cc
|
289
|
112
|
0
|
177
|
38.75%
|
|
psi4/src/psi4/cc/cclambda/cc2_L2.cc
|
17
|
17
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/cc2_faeL2.cc
|
114
|
15
|
0
|
99
|
13.16%
|
|
psi4/src/psi4/cc/cclambda/cc2_fmiL2.cc
|
110
|
15
|
0
|
95
|
13.64%
|
|
psi4/src/psi4/cc/cclambda/cc2_hbar_extra.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/cc3_l3l1.cc
|
117
|
1
|
0
|
116
|
0.85%
|
|
psi4/src/psi4/cc/cclambda/cc3_l3l2.cc
|
972
|
1
|
0
|
971
|
0.10%
|
|
psi4/src/psi4/cc/cclambda/cc3_t3x.cc
|
112
|
1
|
0
|
111
|
0.89%
|
|
psi4/src/psi4/cc/cclambda/cc3_t3z.cc
|
365
|
1
|
0
|
364
|
0.27%
|
|
psi4/src/psi4/cc/cclambda/cclambda.cc
|
323
|
297
|
0
|
26
|
91.95%
|
|
psi4/src/psi4/cc/cclambda/check_ortho.cc
|
99
|
97
|
0
|
2
|
97.98%
|
|
psi4/src/psi4/cc/cclambda/check_sum.cc
|
50
|
0
|
0
|
50
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/converged.cc
|
104
|
104
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/denom.cc
|
337
|
325
|
0
|
12
|
96.44%
|
|
psi4/src/psi4/cc/cclambda/diis.cc
|
554
|
552
|
0
|
2
|
99.64%
|
|
psi4/src/psi4/cc/cclambda/dijabL2.cc
|
91
|
90
|
0
|
1
|
98.90%
|
|
psi4/src/psi4/cc/cclambda/get_moinfo.cc
|
156
|
156
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/get_params.cc
|
292
|
218
|
0
|
74
|
74.66%
|
|
psi4/src/psi4/cc/cclambda/globals.h
|
3
|
3
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/halftrans.cc
|
46
|
0
|
0
|
46
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/hbar_extra.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/init_amps.cc
|
270
|
262
|
0
|
8
|
97.04%
|
|
psi4/src/psi4/cc/cclambda/local.cc
|
146
|
1
|
0
|
145
|
0.68%
|
|
psi4/src/psi4/cc/cclambda/ortho_Rs.cc
|
45
|
45
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/overlap.cc
|
136
|
136
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/overlap_LAMPS.cc
|
143
|
0
|
0
|
143
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/projections.cc
|
256
|
75
|
0
|
181
|
29.30%
|
|
psi4/src/psi4/cc/cclambda/pseudoenergy.cc
|
109
|
108
|
0
|
1
|
99.08%
|
|
psi4/src/psi4/cc/cclambda/sort_amps.cc
|
63
|
63
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cclambda/spinad_amps.cc
|
11
|
0
|
0
|
11
|
0.00%
|
|
psi4/src/psi4/cc/cclambda/status.cc
|
5
|
1
|
0
|
4
|
20.00%
|
|
psi4/src/psi4/cc/cclambda/update.cc
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/HXY.cc
|
16
|
16
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/LCX.cc
|
112
|
99
|
0
|
13
|
88.39%
|
|
psi4/src/psi4/cc/ccresponse/LHX1Y1.cc
|
76
|
76
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/LHX1Y2.cc
|
314
|
314
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/LHX2Y2.cc
|
191
|
191
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/Local.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/Params.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/X1.cc
|
68
|
67
|
0
|
1
|
98.53%
|
|
psi4/src/psi4/cc/ccresponse/X2.cc
|
357
|
340
|
0
|
17
|
95.24%
|
|
psi4/src/psi4/cc/ccresponse/amp_write.cc
|
123
|
1
|
0
|
122
|
0.81%
|
|
psi4/src/psi4/cc/ccresponse/analyze.cc
|
86
|
1
|
0
|
85
|
1.16%
|
|
psi4/src/psi4/cc/ccresponse/cache.cc
|
570
|
13
|
0
|
557
|
2.28%
|
|
psi4/src/psi4/cc/ccresponse/cc2_LHX1Y1.cc
|
402
|
402
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/cc2_LHX1Y2.cc
|
56
|
56
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/cc2_X1.cc
|
77
|
76
|
0
|
1
|
98.70%
|
|
psi4/src/psi4/cc/ccresponse/cc2_X2.cc
|
71
|
70
|
0
|
1
|
98.59%
|
|
psi4/src/psi4/cc/ccresponse/cc2_hbar_extra.cc
|
18
|
18
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/cc2_sort_X.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/ccresponse.cc
|
66
|
54
|
0
|
12
|
81.82%
|
|
psi4/src/psi4/cc/ccresponse/compute_X.cc
|
62
|
51
|
0
|
11
|
82.26%
|
|
psi4/src/psi4/cc/ccresponse/converged.cc
|
39
|
39
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/denom.cc
|
74
|
74
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/diis.cc
|
141
|
140
|
0
|
1
|
99.29%
|
|
psi4/src/psi4/cc/ccresponse/get_moinfo.cc
|
175
|
114
|
0
|
61
|
65.14%
|
|
psi4/src/psi4/cc/ccresponse/get_params.cc
|
146
|
110
|
0
|
36
|
75.34%
|
|
psi4/src/psi4/cc/ccresponse/globals.h
|
3
|
3
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/hbar_extra.cc
|
24
|
24
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/init_X.cc
|
27
|
23
|
0
|
4
|
85.19%
|
|
psi4/src/psi4/cc/ccresponse/lambda_residuals.cc
|
54
|
54
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/linresp.cc
|
60
|
53
|
0
|
7
|
88.33%
|
|
psi4/src/psi4/cc/ccresponse/local.cc
|
145
|
1
|
0
|
144
|
0.69%
|
|
psi4/src/psi4/cc/ccresponse/optrot.cc
|
372
|
353
|
0
|
19
|
94.89%
|
|
psi4/src/psi4/cc/ccresponse/pertbar.cc
|
122
|
122
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/polar.cc
|
91
|
89
|
0
|
2
|
97.80%
|
|
psi4/src/psi4/cc/ccresponse/preppert.cc
|
72
|
72
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/print_X.cc
|
9
|
0
|
0
|
9
|
0.00%
|
|
psi4/src/psi4/cc/ccresponse/pseudopolar.cc
|
17
|
17
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/roa.cc
|
364
|
290
|
0
|
74
|
79.67%
|
|
psi4/src/psi4/cc/ccresponse/save_X.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/scatter.cc
|
422
|
1
|
0
|
421
|
0.24%
|
|
psi4/src/psi4/cc/ccresponse/sort_X.cc
|
40
|
40
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/sort_lamps.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/sort_pert.cc
|
42
|
42
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/ccresponse/update_X.cc
|
17
|
17
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/ET_AAA.cc
|
349
|
0
|
0
|
349
|
0.00%
|
|
psi4/src/psi4/cc/cctriples/ET_AAB.cc
|
339
|
0
|
0
|
339
|
0.00%
|
|
psi4/src/psi4/cc/cctriples/ET_ABB.cc
|
338
|
0
|
0
|
338
|
0.00%
|
|
psi4/src/psi4/cc/cctriples/ET_BBB.cc
|
349
|
0
|
0
|
349
|
0.00%
|
|
psi4/src/psi4/cc/cctriples/ET_RHF.cc
|
481
|
479
|
0
|
2
|
99.58%
|
|
psi4/src/psi4/cc/cctriples/ET_UHF_AAA.cc
|
459
|
459
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/ET_UHF_AAB.cc
|
478
|
478
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/ET_UHF_ABB.cc
|
476
|
476
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/ET_UHF_BBB.cc
|
459
|
459
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/EaT_RHF.cc
|
472
|
472
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/MOInfo.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/Params.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_UHF_AAA.cc
|
410
|
410
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_UHF_AAB.cc
|
402
|
402
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_UHF_ABC.cc
|
929
|
929
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_grad_RHF.cc
|
888
|
888
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_grad_UHF_AAA.cc
|
327
|
327
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_grad_UHF_AAB.cc
|
673
|
673
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_grad_UHF_BBA.cc
|
679
|
679
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/T3_grad_UHF_BBB.cc
|
329
|
329
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/cache.cc
|
570
|
375
|
0
|
195
|
65.79%
|
|
psi4/src/psi4/cc/cctriples/count_ijk.cc
|
138
|
138
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/get_moinfo.cc
|
133
|
128
|
0
|
5
|
96.24%
|
|
psi4/src/psi4/cc/cctriples/globals.h
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/test_abc_loops.cc
|
355
|
0
|
0
|
355
|
0.00%
|
|
psi4/src/psi4/cc/cctriples/transpose_integrals.cc
|
38
|
38
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cc/cctriples/triples.cc
|
115
|
114
|
0
|
1
|
99.13%
|
|
psi4/src/psi4/cctransort/a_spinad.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/b_spinad.cc
|
64
|
64
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/c_sort.cc
|
64
|
64
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/cache.cc
|
572
|
376
|
0
|
196
|
65.73%
|
|
psi4/src/psi4/cctransort/cctransort.cc
|
509
|
495
|
0
|
14
|
97.25%
|
|
psi4/src/psi4/cctransort/d_sort.cc
|
99
|
99
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/d_spinad.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/denom.cc
|
247
|
247
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/e_sort.cc
|
51
|
51
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/e_spinad.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/f_sort.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/fock.cc
|
149
|
137
|
0
|
12
|
91.95%
|
|
psi4/src/psi4/cctransort/memcheck.cc
|
147
|
147
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/pitzer2qt.cc
|
18
|
18
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/scf_check.cc
|
80
|
80
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/cctransort/sort_tei_rhf.cc
|
59
|
41
|
0
|
18
|
69.49%
|
|
psi4/src/psi4/cctransort/sort_tei_uhf.cc
|
179
|
110
|
0
|
69
|
61.45%
|
|
psi4/src/psi4/dct/AO_contribute.cc
|
140
|
140
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct.cc
|
61
|
59
|
0
|
2
|
96.72%
|
|
psi4/src/psi4/dct/dct_compute.cc
|
39
|
32
|
0
|
7
|
82.05%
|
|
psi4/src/psi4/dct/dct_compute_RHF.cc
|
137
|
41
|
0
|
96
|
29.93%
|
|
psi4/src/psi4/dct/dct_compute_UHF.cc
|
304
|
269
|
0
|
35
|
88.49%
|
|
psi4/src/psi4/dct/dct_density_RHF.cc
|
202
|
202
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_density_UHF.cc
|
1,291
|
1,252
|
0
|
39
|
96.98%
|
|
psi4/src/psi4/dct/dct_df_tensor.cc
|
1,567
|
1,504
|
0
|
63
|
95.98%
|
|
psi4/src/psi4/dct/dct_energy_RHF.cc
|
28
|
28
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_energy_UHF.cc
|
57
|
57
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_gradient.cc
|
10
|
10
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_gradient_RHF.cc
|
483
|
427
|
0
|
56
|
88.41%
|
|
psi4/src/psi4/dct/dct_gradient_UHF.cc
|
3,186
|
3,185
|
0
|
1
|
99.97%
|
|
psi4/src/psi4/dct/dct_integrals_RHF.cc
|
214
|
213
|
0
|
1
|
99.53%
|
|
psi4/src/psi4/dct/dct_integrals_UHF.cc
|
552
|
551
|
0
|
1
|
99.82%
|
|
psi4/src/psi4/dct/dct_intermediates_RHF.cc
|
168
|
168
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_intermediates_UHF.cc
|
1,928
|
1,928
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_lambda_RHF.cc
|
42
|
41
|
0
|
1
|
97.62%
|
|
psi4/src/psi4/dct/dct_lambda_UHF.cc
|
98
|
97
|
0
|
1
|
98.98%
|
|
psi4/src/psi4/dct/dct_memory.cc
|
146
|
146
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_mp2_RHF.cc
|
57
|
55
|
0
|
2
|
96.49%
|
|
psi4/src/psi4/dct/dct_mp2_UHF.cc
|
80
|
80
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_n_representability.cc
|
507
|
1
|
0
|
506
|
0.20%
|
|
psi4/src/psi4/dct/dct_oo_RHF.cc
|
317
|
316
|
0
|
1
|
99.68%
|
|
psi4/src/psi4/dct/dct_oo_UHF.cc
|
523
|
497
|
0
|
26
|
95.03%
|
|
psi4/src/psi4/dct/dct_qc.cc
|
1,303
|
1,113
|
0
|
190
|
85.42%
|
|
psi4/src/psi4/dct/dct_scf_RHF.cc
|
291
|
245
|
0
|
46
|
84.19%
|
|
psi4/src/psi4/dct/dct_scf_UHF.cc
|
1,078
|
703
|
0
|
375
|
65.21%
|
|
psi4/src/psi4/dct/dct_sort_mo_tpdm.cc
|
194
|
154
|
0
|
40
|
79.38%
|
|
psi4/src/psi4/dct/dct_tau_RHF.cc
|
154
|
133
|
0
|
21
|
86.36%
|
|
psi4/src/psi4/dct/dct_tau_UHF.cc
|
538
|
538
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dct/dct_triples.cc
|
1,739
|
1,724
|
0
|
15
|
99.14%
|
|
psi4/src/psi4/dct/half_transform.cc
|
49
|
46
|
0
|
3
|
93.88%
|
|
psi4/src/psi4/dct/main.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/detci/b2brepl.cc
|
208
|
1
|
0
|
207
|
0.48%
|
|
psi4/src/psi4/detci/calc_d.cc
|
21
|
21
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/detci/civect.cc
|
1,976
|
1,461
|
0
|
515
|
73.94%
|
|
psi4/src/psi4/detci/ciwave.cc
|
414
|
366
|
0
|
48
|
88.41%
|
|
psi4/src/psi4/detci/compute_cc.cc
|
2
|
1
|
0
|
1
|
50.00%
|
|
psi4/src/psi4/detci/compute_mpn.cc
|
268
|
197
|
0
|
71
|
73.51%
|
|
psi4/src/psi4/detci/detci.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/detci/diag_h.cc
|
285
|
132
|
0
|
153
|
46.32%
|
|
psi4/src/psi4/detci/form_ov.cc
|
40
|
1
|
0
|
39
|
2.50%
|
|
psi4/src/psi4/detci/get_mo_info.cc
|
121
|
104
|
0
|
17
|
85.95%
|
|
psi4/src/psi4/detci/h0block.cc
|
435
|
249
|
0
|
186
|
57.24%
|
|
psi4/src/psi4/detci/import_vector.cc
|
62
|
0
|
0
|
62
|
0.00%
|
|
psi4/src/psi4/detci/ints.cc
|
578
|
457
|
0
|
121
|
79.07%
|
|
psi4/src/psi4/detci/misc.cc
|
26
|
16
|
0
|
10
|
61.54%
|
|
psi4/src/psi4/detci/mitrush_iter.cc
|
344
|
39
|
0
|
305
|
11.34%
|
|
psi4/src/psi4/detci/odometer.cc
|
108
|
57
|
0
|
51
|
52.78%
|
|
psi4/src/psi4/detci/og_addr.cc
|
59
|
56
|
0
|
3
|
94.92%
|
|
psi4/src/psi4/detci/olsengraph.cc
|
371
|
289
|
0
|
82
|
77.90%
|
|
psi4/src/psi4/detci/olsenupdt.cc
|
30
|
11
|
0
|
19
|
36.67%
|
|
psi4/src/psi4/detci/opdm.cc
|
370
|
311
|
0
|
59
|
84.05%
|
|
psi4/src/psi4/detci/params.cc
|
738
|
568
|
0
|
170
|
76.96%
|
|
psi4/src/psi4/detci/printing.cc
|
62
|
59
|
0
|
3
|
95.16%
|
|
psi4/src/psi4/detci/s1v.cc
|
104
|
66
|
0
|
38
|
63.46%
|
|
psi4/src/psi4/detci/s2v.cc
|
110
|
70
|
0
|
40
|
63.64%
|
|
psi4/src/psi4/detci/s3_block_bz.cc
|
122
|
1
|
0
|
121
|
0.82%
|
|
psi4/src/psi4/detci/s3v.cc
|
166
|
83
|
0
|
83
|
50.00%
|
|
psi4/src/psi4/detci/sem.cc
|
648
|
436
|
0
|
212
|
67.28%
|
|
psi4/src/psi4/detci/sem_test.cc
|
164
|
1
|
0
|
163
|
0.61%
|
|
psi4/src/psi4/detci/set_ciblks.cc
|
194
|
144
|
0
|
50
|
74.23%
|
|
psi4/src/psi4/detci/sigma.cc
|
458
|
291
|
0
|
167
|
63.54%
|
|
psi4/src/psi4/detci/slater.cc
|
66
|
66
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/detci/slater_matel.cc
|
139
|
130
|
0
|
9
|
93.53%
|
|
psi4/src/psi4/detci/slaterd.cc
|
73
|
15
|
0
|
58
|
20.55%
|
|
psi4/src/psi4/detci/slaterd.h
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/detci/stringlist.cc
|
203
|
184
|
0
|
19
|
90.64%
|
|
psi4/src/psi4/detci/structs.h
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/detci/tpdm.cc
|
354
|
317
|
0
|
37
|
89.55%
|
|
psi4/src/psi4/detci/vector.cc
|
36
|
32
|
0
|
4
|
88.89%
|
|
psi4/src/psi4/dfep2/dfep2.cc
|
271
|
239
|
0
|
32
|
88.19%
|
|
psi4/src/psi4/dfep2/dfep2.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfmp2/corr_grad.cc
|
520
|
477
|
0
|
43
|
91.73%
|
|
psi4/src/psi4/dfmp2/corr_grad.h
|
20
|
15
|
0
|
5
|
75.00%
|
|
psi4/src/psi4/dfmp2/mp2.cc
|
2,008
|
1,861
|
0
|
147
|
92.68%
|
|
psi4/src/psi4/dfmp2/wrapper.cc
|
12
|
11
|
0
|
1
|
91.67%
|
|
psi4/src/psi4/dfocc/approx_diag_mohess_oo.cc
|
179
|
177
|
0
|
2
|
98.88%
|
|
psi4/src/psi4/dfocc/approx_diag_mohess_vo.cc
|
198
|
196
|
0
|
2
|
98.99%
|
|
psi4/src/psi4/dfocc/back_trans.cc
|
247
|
247
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/cc_energy.cc
|
183
|
85
|
0
|
98
|
46.45%
|
|
psi4/src/psi4/dfocc/ccd_3index_intr.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccd_3index_intr_low.cc
|
14
|
1
|
0
|
13
|
7.14%
|
|
psi4/src/psi4/dfocc/ccd_F_intr.cc
|
10
|
10
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccd_F_intr_low.cc
|
13
|
1
|
0
|
12
|
7.69%
|
|
psi4/src/psi4/dfocc/ccd_W_intr.cc
|
324
|
240
|
0
|
84
|
74.07%
|
|
psi4/src/psi4/dfocc/ccd_W_intr_low.cc
|
238
|
1
|
0
|
237
|
0.42%
|
|
psi4/src/psi4/dfocc/ccd_iterations.cc
|
62
|
54
|
0
|
8
|
87.10%
|
|
psi4/src/psi4/dfocc/ccd_iterations_low.cc
|
53
|
1
|
0
|
52
|
1.89%
|
|
psi4/src/psi4/dfocc/ccd_opdm.cc
|
28
|
25
|
0
|
3
|
89.29%
|
|
psi4/src/psi4/dfocc/ccd_pdm_3index_intr.cc
|
204
|
204
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccd_t2_amps.cc
|
52
|
47
|
0
|
5
|
90.38%
|
|
psi4/src/psi4/dfocc/ccd_t2_amps_low.cc
|
65
|
1
|
0
|
64
|
1.54%
|
|
psi4/src/psi4/dfocc/ccd_tpdm.cc
|
143
|
143
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccdl_3index_intr.cc
|
102
|
102
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccdl_W_intr.cc
|
319
|
229
|
0
|
90
|
71.79%
|
|
psi4/src/psi4/dfocc/ccdl_iterations.cc
|
90
|
82
|
0
|
8
|
91.11%
|
|
psi4/src/psi4/dfocc/ccdl_l2_amps.cc
|
66
|
61
|
0
|
5
|
92.42%
|
|
psi4/src/psi4/dfocc/ccl_energy.cc
|
385
|
132
|
0
|
253
|
34.29%
|
|
psi4/src/psi4/dfocc/ccsd_3index_intr.cc
|
74
|
74
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsd_3index_intr_low.cc
|
87
|
1
|
0
|
86
|
1.15%
|
|
psi4/src/psi4/dfocc/ccsd_F_intr.cc
|
23
|
23
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsd_F_intr_low.cc
|
38
|
1
|
0
|
37
|
2.63%
|
|
psi4/src/psi4/dfocc/ccsd_W_intr.cc
|
782
|
383
|
0
|
399
|
48.98%
|
|
psi4/src/psi4/dfocc/ccsd_W_intr_low.cc
|
476
|
1
|
0
|
475
|
0.21%
|
|
psi4/src/psi4/dfocc/ccsd_iterations.cc
|
73
|
64
|
0
|
9
|
87.67%
|
|
psi4/src/psi4/dfocc/ccsd_iterations_low.cc
|
65
|
1
|
0
|
64
|
1.54%
|
|
psi4/src/psi4/dfocc/ccsd_opdm.cc
|
91
|
81
|
0
|
10
|
89.01%
|
|
psi4/src/psi4/dfocc/ccsd_pdm_3index_intr.cc
|
462
|
462
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsd_t1_amps.cc
|
33
|
33
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsd_t1_amps_low.cc
|
42
|
1
|
0
|
41
|
2.38%
|
|
psi4/src/psi4/dfocc/ccsd_t2_amps.cc
|
112
|
95
|
0
|
17
|
84.82%
|
|
psi4/src/psi4/dfocc/ccsd_t2_amps_low.cc
|
104
|
1
|
0
|
103
|
0.96%
|
|
psi4/src/psi4/dfocc/ccsd_tpdm.cc
|
362
|
362
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsd_triples.cc
|
1,389
|
633
|
0
|
756
|
45.57%
|
|
psi4/src/psi4/dfocc/ccsdl_3index_intr.cc
|
169
|
169
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsdl_W_intr.cc
|
664
|
534
|
0
|
130
|
80.42%
|
|
psi4/src/psi4/dfocc/ccsdl_iterations.cc
|
109
|
100
|
0
|
9
|
91.74%
|
|
psi4/src/psi4/dfocc/ccsdl_l1_amps.cc
|
130
|
130
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/ccsdl_l2_amps.cc
|
112
|
106
|
0
|
6
|
94.64%
|
|
psi4/src/psi4/dfocc/cd_ints.cc
|
214
|
205
|
0
|
9
|
95.79%
|
|
psi4/src/psi4/dfocc/conv_mo_tei.cc
|
669
|
0
|
0
|
669
|
0.00%
|
|
psi4/src/psi4/dfocc/conv_mo_tei_direct.cc
|
559
|
36
|
0
|
523
|
6.44%
|
|
psi4/src/psi4/dfocc/conv_mo_tei_ref_direct.cc
|
292
|
33
|
0
|
259
|
11.30%
|
|
psi4/src/psi4/dfocc/df_corr.cc
|
1,140
|
309
|
0
|
831
|
27.11%
|
|
psi4/src/psi4/dfocc/df_ref.cc
|
281
|
148
|
0
|
133
|
52.67%
|
|
psi4/src/psi4/dfocc/dfgrad.cc
|
10
|
10
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/dfocc.cc
|
438
|
393
|
0
|
45
|
89.73%
|
|
psi4/src/psi4/dfocc/diagonal_mohess_oo.cc
|
137
|
1
|
0
|
136
|
0.73%
|
|
psi4/src/psi4/dfocc/diagonal_mohess_vo.cc
|
174
|
1
|
0
|
173
|
0.57%
|
|
psi4/src/psi4/dfocc/diis.cc
|
38
|
30
|
0
|
8
|
78.95%
|
|
psi4/src/psi4/dfocc/effective_mograd.cc
|
568
|
533
|
0
|
35
|
93.84%
|
|
psi4/src/psi4/dfocc/ekt.cc
|
104
|
0
|
0
|
104
|
0.00%
|
|
psi4/src/psi4/dfocc/ekt.h
|
4
|
0
|
0
|
4
|
0.00%
|
|
psi4/src/psi4/dfocc/fock.cc
|
105
|
103
|
0
|
2
|
98.10%
|
|
psi4/src/psi4/dfocc/fock_so.cc
|
15
|
0
|
0
|
15
|
0.00%
|
|
psi4/src/psi4/dfocc/get_moinfo.cc
|
280
|
267
|
0
|
13
|
95.36%
|
|
psi4/src/psi4/dfocc/gfock_oo.cc
|
226
|
224
|
0
|
2
|
99.12%
|
|
psi4/src/psi4/dfocc/gfock_ov.cc
|
211
|
209
|
0
|
2
|
99.05%
|
|
psi4/src/psi4/dfocc/gfock_vo.cc
|
194
|
192
|
0
|
2
|
98.97%
|
|
psi4/src/psi4/dfocc/gfock_vv.cc
|
191
|
185
|
0
|
6
|
96.86%
|
|
psi4/src/psi4/dfocc/gftilde_vv.cc
|
188
|
1
|
0
|
187
|
0.53%
|
|
psi4/src/psi4/dfocc/idp.cc
|
227
|
155
|
0
|
72
|
68.28%
|
|
psi4/src/psi4/dfocc/kappa_diag_hess.cc
|
151
|
55
|
0
|
96
|
36.42%
|
|
psi4/src/psi4/dfocc/kappa_orb_resp.cc
|
295
|
1
|
0
|
294
|
0.34%
|
|
psi4/src/psi4/dfocc/kappa_orb_resp_pcg.cc
|
335
|
99
|
0
|
236
|
29.55%
|
|
psi4/src/psi4/dfocc/lccd_W_intr.cc
|
617
|
617
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/lccd_iterations.cc
|
58
|
52
|
0
|
6
|
89.66%
|
|
psi4/src/psi4/dfocc/lccd_pdm_3index_intr.cc
|
429
|
1
|
0
|
428
|
0.23%
|
|
psi4/src/psi4/dfocc/lccd_t2_amps.cc
|
312
|
312
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/main.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/manager.cc
|
2,634
|
1,939
|
0
|
695
|
73.61%
|
|
psi4/src/psi4/dfocc/manager_cd.cc
|
2,342
|
453
|
0
|
1,889
|
19.34%
|
|
psi4/src/psi4/dfocc/mograd.cc
|
60
|
54
|
0
|
6
|
90.00%
|
|
psi4/src/psi4/dfocc/mp2_direct.cc
|
458
|
113
|
0
|
345
|
24.67%
|
|
psi4/src/psi4/dfocc/mp3_W_intr.cc
|
613
|
613
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/mp3_pdm_3index_intr.cc
|
511
|
511
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/occ_iterations.cc
|
236
|
146
|
0
|
90
|
61.86%
|
|
psi4/src/psi4/dfocc/olccd_tpdm.cc
|
365
|
1
|
0
|
364
|
0.27%
|
|
psi4/src/psi4/dfocc/omp2_opdm.cc
|
105
|
80
|
0
|
25
|
76.19%
|
|
psi4/src/psi4/dfocc/omp2_tpdm.cc
|
101
|
101
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/omp3_opdm.cc
|
53
|
44
|
0
|
9
|
83.02%
|
|
psi4/src/psi4/dfocc/omp3_tpdm.cc
|
375
|
375
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/pair_index.cc
|
159
|
120
|
0
|
39
|
75.47%
|
|
psi4/src/psi4/dfocc/prepare4grad.cc
|
580
|
284
|
0
|
296
|
48.97%
|
|
psi4/src/psi4/dfocc/properties.cc
|
57
|
1
|
0
|
56
|
1.75%
|
|
psi4/src/psi4/dfocc/qchf.cc
|
471
|
1
|
0
|
470
|
0.21%
|
|
psi4/src/psi4/dfocc/s2_response.cc
|
179
|
1
|
0
|
178
|
0.56%
|
|
psi4/src/psi4/dfocc/semi_canonic.cc
|
102
|
1
|
0
|
101
|
0.98%
|
|
psi4/src/psi4/dfocc/separable_tpdm.cc
|
402
|
374
|
0
|
28
|
93.03%
|
|
psi4/src/psi4/dfocc/t1_1st_sc.cc
|
22
|
22
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/t2_1st_gen.cc
|
274
|
266
|
0
|
8
|
97.08%
|
|
psi4/src/psi4/dfocc/t2_1st_sc.cc
|
292
|
278
|
0
|
14
|
95.21%
|
|
psi4/src/psi4/dfocc/t2_2nd_gen.cc
|
204
|
204
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/t2_2nd_sc.cc
|
162
|
162
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/t2_mp2_direct.cc
|
78
|
69
|
0
|
9
|
88.46%
|
|
psi4/src/psi4/dfocc/tensors.cc
|
4,536
|
1,528
|
0
|
3,008
|
33.69%
|
|
psi4/src/psi4/dfocc/tensors.h
|
3
|
3
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/tpdm_tilde.cc
|
194
|
194
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/dfocc/update_hfmo.cc
|
70
|
1
|
0
|
69
|
1.43%
|
|
psi4/src/psi4/dfocc/update_mo.cc
|
115
|
101
|
0
|
14
|
87.83%
|
|
psi4/src/psi4/dfocc/z_vector.cc
|
196
|
1
|
0
|
195
|
0.51%
|
|
psi4/src/psi4/dfocc/z_vector_pcg.cc
|
360
|
342
|
0
|
18
|
95.00%
|
|
psi4/src/psi4/fisapt/fisapt.cc
|
3,513
|
3,232
|
0
|
281
|
92.00%
|
|
psi4/src/psi4/fisapt/fisapt.h
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/fisapt/local2.cc
|
366
|
252
|
0
|
114
|
68.85%
|
|
psi4/src/psi4/fisapt/local2.h
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/fnocc/blas.cc
|
43
|
16
|
0
|
27
|
37.21%
|
|
psi4/src/psi4/fnocc/blas.h
|
14
|
10
|
0
|
4
|
71.43%
|
|
psi4/src/psi4/fnocc/ccsd.cc
|
1,451
|
1,224
|
0
|
227
|
84.36%
|
|
psi4/src/psi4/fnocc/coupled_pair.cc
|
514
|
452
|
0
|
62
|
87.94%
|
|
psi4/src/psi4/fnocc/df_cc_residual.cc
|
298
|
226
|
0
|
72
|
75.84%
|
|
psi4/src/psi4/fnocc/df_ccsd.cc
|
570
|
480
|
0
|
90
|
84.21%
|
|
psi4/src/psi4/fnocc/df_scs.cc
|
55
|
45
|
0
|
10
|
81.82%
|
|
psi4/src/psi4/fnocc/df_t1_transformation.cc
|
185
|
185
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/fnocc/diis.cc
|
135
|
127
|
0
|
8
|
94.07%
|
|
psi4/src/psi4/fnocc/fnocc.cc
|
59
|
59
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/fnocc/frozen_natural_orbitals.cc
|
657
|
468
|
0
|
189
|
71.23%
|
|
psi4/src/psi4/fnocc/linear.cc
|
464
|
408
|
0
|
56
|
87.93%
|
|
psi4/src/psi4/fnocc/lowmemory_triples.cc
|
344
|
312
|
0
|
32
|
90.70%
|
|
psi4/src/psi4/fnocc/mp2.cc
|
48
|
1
|
0
|
47
|
2.08%
|
|
psi4/src/psi4/fnocc/opdm.cc
|
131
|
125
|
0
|
6
|
95.42%
|
|
psi4/src/psi4/fnocc/quadratic.cc
|
241
|
198
|
0
|
43
|
82.16%
|
|
psi4/src/psi4/fnocc/sortintegrals.cc
|
1,704
|
984
|
0
|
720
|
57.75%
|
|
psi4/src/psi4/fnocc/triples.cc
|
267
|
1
|
0
|
266
|
0.37%
|
|
psi4/src/psi4/lib3index/cholesky.cc
|
178
|
89
|
0
|
89
|
50.00%
|
|
psi4/src/psi4/lib3index/cholesky.h
|
2
|
2
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/lib3index/denominator.cc
|
741
|
132
|
0
|
609
|
17.81%
|
|
psi4/src/psi4/lib3index/denominator.h
|
5
|
3
|
0
|
2
|
60.00%
|
|
psi4/src/psi4/lib3index/dfhelper.cc
|
2,113
|
1,626
|
0
|
487
|
76.95%
|
|
psi4/src/psi4/lib3index/dfhelper.h
|
26
|
17
|
0
|
9
|
65.38%
|
|
psi4/src/psi4/lib3index/dftensor.cc
|
174
|
70
|
0
|
104
|
40.23%
|
|
psi4/src/psi4/lib3index/dftensor.h
|
6
|
1
|
0
|
5
|
16.67%
|
|
psi4/src/psi4/lib3index/fittingmetric.cc
|
284
|
78
|
0
|
206
|
27.46%
|
|
psi4/src/psi4/libciomr/block_matrix.cc
|
23
|
17
|
0
|
6
|
73.91%
|
|
psi4/src/psi4/libciomr/eigsort.cc
|
71
|
17
|
0
|
54
|
23.94%
|
|
psi4/src/psi4/libciomr/eivout.cc
|
27
|
1
|
0
|
26
|
3.70%
|
|
psi4/src/psi4/libciomr/flin.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libciomr/init_array.cc
|
8
|
5
|
0
|
3
|
62.50%
|
|
psi4/src/psi4/libciomr/init_matrix.cc
|
21
|
15
|
0
|
6
|
71.43%
|
|
psi4/src/psi4/libciomr/int_array.cc
|
51
|
19
|
0
|
32
|
37.25%
|
|
psi4/src/psi4/libciomr/long_int_array.cc
|
15
|
9
|
0
|
6
|
60.00%
|
|
psi4/src/psi4/libciomr/lubksb.cc
|
18
|
18
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libciomr/ludcmp.cc
|
38
|
36
|
0
|
2
|
94.74%
|
|
psi4/src/psi4/libciomr/print_array.cc
|
28
|
1
|
0
|
27
|
3.57%
|
|
psi4/src/psi4/libciomr/print_mat.cc
|
34
|
22
|
0
|
12
|
64.71%
|
|
psi4/src/psi4/libciomr/rsp.cc
|
41
|
1
|
0
|
40
|
2.44%
|
|
psi4/src/psi4/libciomr/sq_rsp.cc
|
43
|
39
|
0
|
4
|
90.70%
|
|
psi4/src/psi4/libciomr/sq_to_tri.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libciomr/tqli.cc
|
59
|
1
|
0
|
58
|
1.69%
|
|
psi4/src/psi4/libciomr/tred2.cc
|
60
|
0
|
0
|
60
|
0.00%
|
|
psi4/src/psi4/libciomr/tri_to_sq.cc
|
7
|
0
|
0
|
7
|
0.00%
|
|
psi4/src/psi4/libciomr/tstart.cc
|
46
|
46
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libciomr/zero.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libcubeprop/csg.cc
|
478
|
1
|
0
|
477
|
0.21%
|
|
psi4/src/psi4/libcubeprop/csg.h
|
6
|
0
|
0
|
6
|
0.00%
|
|
psi4/src/psi4/libcubeprop/cubeprop.cc
|
162
|
1
|
0
|
161
|
0.62%
|
|
psi4/src/psi4/libcubeprop/cubeprop.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libdiis/diisentry.cc
|
57
|
53
|
0
|
4
|
92.98%
|
|
psi4/src/psi4/libdiis/diisentry.h
|
14
|
13
|
0
|
1
|
92.86%
|
|
psi4/src/psi4/libdiis/diismanager.cc
|
306
|
273
|
0
|
33
|
89.22%
|
|
psi4/src/psi4/libdiis/diismanager.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libdisp/dispersion.cc
|
304
|
209
|
0
|
95
|
68.75%
|
|
psi4/src/psi4/libdisp/dispersion.h
|
15
|
0
|
0
|
15
|
0.00%
|
|
psi4/src/psi4/libdpd/3d_sort.cc
|
90
|
83
|
0
|
7
|
92.22%
|
|
psi4/src/psi4/libdpd/4mat_irrep_print.cc
|
35
|
1
|
0
|
34
|
2.86%
|
|
psi4/src/psi4/libdpd/T3_AAA.cc
|
301
|
301
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/T3_AAB.cc
|
312
|
312
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/T3_RHF.cc
|
240
|
240
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/T3_RHF_ic.cc
|
222
|
0
|
0
|
222
|
0.00%
|
|
psi4/src/psi4/libdpd/block_matrix.cc
|
44
|
20
|
0
|
24
|
45.45%
|
|
psi4/src/psi4/libdpd/buf4_axpbycz.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_axpy.cc
|
47
|
47
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_close.cc
|
10
|
10
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_copy.cc
|
46
|
28
|
0
|
18
|
60.87%
|
|
psi4/src/psi4/libdpd/buf4_dirprd.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_dot.cc
|
39
|
26
|
0
|
13
|
66.67%
|
|
psi4/src/psi4/libdpd/buf4_dot_self.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_dump.cc
|
31
|
30
|
0
|
1
|
96.77%
|
|
psi4/src/psi4/libdpd/buf4_init.cc
|
29
|
29
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_close.cc
|
16
|
16
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_close_block.cc
|
11
|
7
|
0
|
4
|
63.64%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_init.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_init_block.cc
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_rd.cc
|
253
|
204
|
0
|
49
|
80.63%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_rd_block.cc
|
255
|
128
|
0
|
127
|
50.20%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_row_close.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_row_init.cc
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_row_rd.cc
|
242
|
24
|
0
|
218
|
9.92%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_row_wrt.cc
|
116
|
24
|
0
|
92
|
20.69%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_row_zero.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_shift13.cc
|
35
|
33
|
0
|
2
|
94.29%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_shift31.cc
|
45
|
43
|
0
|
2
|
95.56%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_wrt.cc
|
119
|
79
|
0
|
40
|
66.39%
|
|
psi4/src/psi4/libdpd/buf4_mat_irrep_wrt_block.cc
|
109
|
42
|
0
|
67
|
38.53%
|
|
psi4/src/psi4/libdpd/buf4_print.cc
|
25
|
1
|
0
|
24
|
4.00%
|
|
psi4/src/psi4/libdpd/buf4_scm.cc
|
45
|
40
|
0
|
5
|
88.89%
|
|
psi4/src/psi4/libdpd/buf4_scmcopy.cc
|
51
|
51
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_sort.cc
|
960
|
813
|
0
|
147
|
84.69%
|
|
psi4/src/psi4/libdpd/buf4_sort_axpy.cc
|
1,097
|
628
|
0
|
469
|
57.25%
|
|
psi4/src/psi4/libdpd/buf4_sort_ooc.cc
|
530
|
37
|
0
|
493
|
6.98%
|
|
psi4/src/psi4/libdpd/buf4_symm.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_symm2.cc
|
15
|
15
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/buf4_trace.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/cc3_sigma_RHF.cc
|
437
|
235
|
0
|
202
|
53.78%
|
|
psi4/src/psi4/libdpd/cc3_sigma_RHF_ic.cc
|
530
|
1
|
0
|
529
|
0.19%
|
|
psi4/src/psi4/libdpd/cc3_sigma_UHF.cc
|
929
|
929
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/close.cc
|
50
|
50
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/contract222.cc
|
50
|
46
|
0
|
4
|
92.00%
|
|
psi4/src/psi4/libdpd/contract244.cc
|
212
|
129
|
0
|
83
|
60.85%
|
|
psi4/src/psi4/libdpd/contract422.cc
|
49
|
49
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/contract424.cc
|
201
|
139
|
0
|
62
|
69.15%
|
|
psi4/src/psi4/libdpd/contract442.cc
|
156
|
129
|
0
|
27
|
82.69%
|
|
psi4/src/psi4/libdpd/contract444.cc
|
95
|
83
|
0
|
12
|
87.37%
|
|
psi4/src/psi4/libdpd/contract444_df.cc
|
99
|
1
|
0
|
98
|
1.01%
|
|
psi4/src/psi4/libdpd/dot13.cc
|
53
|
53
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/dot14.cc
|
53
|
50
|
0
|
3
|
94.34%
|
|
psi4/src/psi4/libdpd/dot23.cc
|
53
|
42
|
0
|
11
|
79.25%
|
|
psi4/src/psi4/libdpd/dot24.cc
|
53
|
53
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/dpd.h
|
4
|
3
|
0
|
1
|
75.00%
|
|
psi4/src/psi4/libdpd/dpdmospace.cc
|
65
|
15
|
0
|
50
|
23.08%
|
|
psi4/src/psi4/libdpd/dpdmospace.h
|
7
|
4
|
0
|
3
|
57.14%
|
|
psi4/src/psi4/libdpd/error.cc
|
6
|
1
|
0
|
5
|
16.67%
|
|
psi4/src/psi4/libdpd/file2_axpbycz.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_axpy.cc
|
19
|
19
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_cache.cc
|
98
|
12
|
0
|
86
|
12.24%
|
|
psi4/src/psi4/libdpd/file2_close.cc
|
6
|
5
|
0
|
1
|
83.33%
|
|
psi4/src/psi4/libdpd/file2_copy.cc
|
17
|
17
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_dirprd.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_dot.cc
|
14
|
14
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_dot_self.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_init.cc
|
20
|
18
|
0
|
2
|
90.00%
|
|
psi4/src/psi4/libdpd/file2_mat_close.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_mat_init.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_mat_print.cc
|
41
|
1
|
0
|
40
|
2.44%
|
|
psi4/src/psi4/libdpd/file2_mat_rd.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_mat_wrt.cc
|
12
|
10
|
0
|
2
|
83.33%
|
|
psi4/src/psi4/libdpd/file2_print.cc
|
19
|
1
|
0
|
18
|
5.26%
|
|
psi4/src/psi4/libdpd/file2_scm.cc
|
16
|
16
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file2_trace.cc
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_cache.cc
|
222
|
121
|
0
|
101
|
54.50%
|
|
psi4/src/psi4/libdpd/file4_close.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_init.cc
|
36
|
33
|
0
|
3
|
91.67%
|
|
psi4/src/psi4/libdpd/file4_init_nocache.cc
|
30
|
1
|
0
|
29
|
3.33%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_close.cc
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_init.cc
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_rd.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_rd_block.cc
|
19
|
16
|
0
|
3
|
84.21%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_row_close.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_row_init.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_row_rd.cc
|
17
|
14
|
0
|
3
|
82.35%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_row_wrt.cc
|
19
|
16
|
0
|
3
|
84.21%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_row_zero.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_wrt.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/file4_mat_irrep_wrt_block.cc
|
21
|
16
|
0
|
5
|
76.19%
|
|
psi4/src/psi4/libdpd/file4_print.cc
|
22
|
1
|
0
|
21
|
4.55%
|
|
psi4/src/psi4/libdpd/init.cc
|
413
|
395
|
0
|
18
|
95.64%
|
|
psi4/src/psi4/libdpd/pairnum.cc
|
34
|
27
|
0
|
7
|
79.41%
|
|
psi4/src/psi4/libdpd/split.cc
|
17
|
7
|
0
|
10
|
41.18%
|
|
psi4/src/psi4/libdpd/trace42_13.cc
|
30
|
0
|
0
|
30
|
0.00%
|
|
psi4/src/psi4/libdpd/trans4_close.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/trans4_init.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/trans4_mat_irrep_close.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/trans4_mat_irrep_init.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/trans4_mat_irrep_rd.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libdpd/trans4_mat_irrep_shift13.cc
|
35
|
33
|
0
|
2
|
94.29%
|
|
psi4/src/psi4/libdpd/trans4_mat_irrep_shift31.cc
|
46
|
44
|
0
|
2
|
95.65%
|
|
psi4/src/psi4/libdpd/trans4_mat_irrep_wrt.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libfilesystem/path.cc
|
69
|
0
|
0
|
69
|
0.00%
|
|
psi4/src/psi4/libfilesystem/path.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libfock/CDJK.cc
|
78
|
66
|
0
|
12
|
84.62%
|
|
psi4/src/psi4/libfock/DirectJK.cc
|
343
|
315
|
0
|
28
|
91.84%
|
|
psi4/src/psi4/libfock/DiskDFJK.cc
|
1,093
|
954
|
0
|
139
|
87.28%
|
|
psi4/src/psi4/libfock/DiskJK.cc
|
319
|
268
|
0
|
51
|
84.01%
|
|
psi4/src/psi4/libfock/MemDFJK.cc
|
71
|
71
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libfock/PKJK.cc
|
49
|
48
|
0
|
1
|
97.96%
|
|
psi4/src/psi4/libfock/PK_workers.cc
|
672
|
273
|
0
|
399
|
40.63%
|
|
psi4/src/psi4/libfock/PK_workers.h
|
58
|
26
|
0
|
32
|
44.83%
|
|
psi4/src/psi4/libfock/PKmanagers.cc
|
941
|
333
|
0
|
608
|
35.39%
|
|
psi4/src/psi4/libfock/PKmanagers.h
|
44
|
22
|
0
|
22
|
50.00%
|
|
psi4/src/psi4/libfock/apps.cc
|
884
|
98
|
0
|
786
|
11.09%
|
|
psi4/src/psi4/libfock/apps.h
|
11
|
8
|
0
|
3
|
72.73%
|
|
psi4/src/psi4/libfock/cubature.cc
|
3,181
|
2,555
|
0
|
626
|
80.32%
|
|
psi4/src/psi4/libfock/cubature.h
|
30
|
24
|
0
|
6
|
80.00%
|
|
psi4/src/psi4/libfock/dft_integrators.h
|
184
|
184
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libfock/gridblocker.h
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libfock/hamiltonian.cc
|
1,023
|
405
|
0
|
618
|
39.59%
|
|
psi4/src/psi4/libfock/hamiltonian.h
|
6
|
4
|
0
|
2
|
66.67%
|
|
psi4/src/psi4/libfock/jk.cc
|
386
|
355
|
0
|
31
|
91.97%
|
|
psi4/src/psi4/libfock/jk.h
|
43
|
25
|
0
|
18
|
58.14%
|
|
psi4/src/psi4/libfock/points.cc
|
531
|
385
|
0
|
146
|
72.50%
|
|
psi4/src/psi4/libfock/points.h
|
18
|
13
|
0
|
5
|
72.22%
|
|
psi4/src/psi4/libfock/sap.cc
|
28
|
25
|
0
|
3
|
89.29%
|
|
psi4/src/psi4/libfock/solver.cc
|
1,782
|
667
|
0
|
1,115
|
37.43%
|
|
psi4/src/psi4/libfock/solver.h
|
37
|
9
|
0
|
28
|
24.32%
|
|
psi4/src/psi4/libfock/soscf.cc
|
860
|
684
|
0
|
176
|
79.53%
|
|
psi4/src/psi4/libfock/soscf.h
|
7
|
3
|
0
|
4
|
42.86%
|
|
psi4/src/psi4/libfock/v.cc
|
1,704
|
1,609
|
0
|
95
|
94.42%
|
|
psi4/src/psi4/libfock/v.h
|
8
|
4
|
0
|
4
|
50.00%
|
|
psi4/src/psi4/libfock/wrapper.cc
|
25
|
1
|
0
|
24
|
4.00%
|
|
psi4/src/psi4/libfunctional/LibXCfunctional.cc
|
430
|
352
|
0
|
78
|
81.86%
|
|
psi4/src/psi4/libfunctional/LibXCfunctional.h
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libfunctional/factory.cc
|
5
|
0
|
0
|
5
|
0.00%
|
|
psi4/src/psi4/libfunctional/functional.cc
|
42
|
34
|
0
|
8
|
80.95%
|
|
psi4/src/psi4/libfunctional/functional.h
|
25
|
13
|
0
|
12
|
52.00%
|
|
psi4/src/psi4/libfunctional/superfunctional.cc
|
581
|
502
|
0
|
79
|
86.40%
|
|
psi4/src/psi4/libfunctional/superfunctional.h
|
47
|
42
|
0
|
5
|
89.36%
|
|
psi4/src/psi4/libiwl/buf_close.cc
|
13
|
13
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libiwl/buf_fetch.cc
|
14
|
14
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libiwl/buf_flush.cc
|
36
|
34
|
0
|
2
|
94.44%
|
|
psi4/src/psi4/libiwl/buf_init.cc
|
49
|
43
|
0
|
6
|
87.76%
|
|
psi4/src/psi4/libiwl/buf_put.cc
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libiwl/buf_wrt.cc
|
27
|
1
|
0
|
26
|
3.70%
|
|
psi4/src/psi4/libiwl/buf_wrt_mat.cc
|
27
|
1
|
0
|
26
|
3.70%
|
|
psi4/src/psi4/libiwl/buf_wrt_val.cc
|
55
|
41
|
0
|
14
|
74.55%
|
|
psi4/src/psi4/libiwl/iwl.hpp
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libiwl/rdone.cc
|
19
|
8
|
0
|
11
|
42.11%
|
|
psi4/src/psi4/libiwl/wrtone.cc
|
5
|
0
|
0
|
5
|
0.00%
|
|
psi4/src/psi4/libmints/3coverlap.cc
|
150
|
141
|
0
|
9
|
94.00%
|
|
psi4/src/psi4/libmints/3coverlap.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libmints/angularmomentum.cc
|
115
|
111
|
0
|
4
|
96.52%
|
|
psi4/src/psi4/libmints/angularmomentum.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/basisset.cc
|
649
|
514
|
0
|
135
|
79.20%
|
|
psi4/src/psi4/libmints/basisset.h
|
28
|
24
|
0
|
4
|
85.71%
|
|
psi4/src/psi4/libmints/benchmark.cc
|
1,947
|
1,686
|
0
|
261
|
86.59%
|
|
psi4/src/psi4/libmints/bessel.cc
|
83
|
77
|
0
|
6
|
92.77%
|
|
psi4/src/psi4/libmints/cartesianiter.cc
|
101
|
86
|
0
|
15
|
85.15%
|
|
psi4/src/psi4/libmints/cartesianiter.h
|
34
|
32
|
0
|
2
|
94.12%
|
|
psi4/src/psi4/libmints/cdsalclist.cc
|
193
|
163
|
0
|
30
|
84.46%
|
|
psi4/src/psi4/libmints/cdsalclist.h
|
9
|
7
|
0
|
2
|
77.78%
|
|
psi4/src/psi4/libmints/chartab.cc
|
67
|
47
|
0
|
20
|
70.15%
|
|
psi4/src/psi4/libmints/coordentry.cc
|
210
|
200
|
0
|
10
|
95.24%
|
|
psi4/src/psi4/libmints/coordentry.h
|
77
|
75
|
0
|
2
|
97.40%
|
|
psi4/src/psi4/libmints/corrtab.cc
|
102
|
75
|
0
|
27
|
73.53%
|
|
psi4/src/psi4/libmints/corrtab.h
|
6
|
3
|
0
|
3
|
50.00%
|
|
psi4/src/psi4/libmints/dcd.h
|
1,489
|
1,302
|
0
|
187
|
87.44%
|
|
psi4/src/psi4/libmints/deriv.cc
|
401
|
208
|
0
|
193
|
51.87%
|
|
psi4/src/psi4/libmints/deriv.h
|
4
|
2
|
0
|
2
|
50.00%
|
|
psi4/src/psi4/libmints/dimension.cc
|
85
|
41
|
0
|
44
|
48.24%
|
|
psi4/src/psi4/libmints/dimension.h
|
13
|
11
|
0
|
2
|
84.62%
|
|
psi4/src/psi4/libmints/dipole.cc
|
292
|
292
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/dipole.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/ecpint.cc
|
566
|
543
|
0
|
23
|
95.94%
|
|
psi4/src/psi4/libmints/ecpint.h
|
3
|
2
|
0
|
1
|
66.67%
|
|
psi4/src/psi4/libmints/electricfield.cc
|
200
|
193
|
0
|
7
|
96.50%
|
|
psi4/src/psi4/libmints/electricfield.h
|
14
|
13
|
0
|
1
|
92.86%
|
|
psi4/src/psi4/libmints/electrostatic.cc
|
106
|
90
|
0
|
16
|
84.91%
|
|
psi4/src/psi4/libmints/electrostatic.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libmints/element_to_Z.h
|
128
|
126
|
0
|
2
|
98.44%
|
|
psi4/src/psi4/libmints/eri.cc
|
246
|
110
|
0
|
136
|
44.72%
|
|
psi4/src/psi4/libmints/eri.h
|
6
|
2
|
0
|
4
|
33.33%
|
|
psi4/src/psi4/libmints/eribase.cc
|
146
|
136
|
0
|
10
|
93.15%
|
|
psi4/src/psi4/libmints/extern.cc
|
217
|
163
|
0
|
54
|
75.12%
|
|
psi4/src/psi4/libmints/extern.h
|
3
|
1
|
0
|
2
|
33.33%
|
|
psi4/src/psi4/libmints/factory.cc
|
52
|
32
|
0
|
20
|
61.54%
|
|
psi4/src/psi4/libmints/fjt.cc
|
352
|
1
|
0
|
351
|
0.28%
|
|
psi4/src/psi4/libmints/fjt.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libmints/gaussquad.cc
|
119
|
119
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/gaussquad.h
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/get_writer_file_prefix.cc
|
10
|
10
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/gshell.cc
|
119
|
102
|
0
|
17
|
85.71%
|
|
psi4/src/psi4/libmints/gshell.h
|
17
|
14
|
0
|
3
|
82.35%
|
|
psi4/src/psi4/libmints/integral.cc
|
145
|
99
|
0
|
46
|
68.28%
|
|
psi4/src/psi4/libmints/integral.h
|
14
|
7
|
0
|
7
|
50.00%
|
|
psi4/src/psi4/libmints/integraliter.cc
|
472
|
318
|
0
|
154
|
67.37%
|
|
psi4/src/psi4/libmints/integralparameters.cc
|
38
|
0
|
0
|
38
|
0.00%
|
|
psi4/src/psi4/libmints/integralparameters.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/intvector.cc
|
122
|
34
|
0
|
88
|
27.87%
|
|
psi4/src/psi4/libmints/irrep.cc
|
48
|
34
|
0
|
14
|
70.83%
|
|
psi4/src/psi4/libmints/kinetic.cc
|
272
|
272
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/kinetic.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libmints/local.cc
|
305
|
1
|
0
|
304
|
0.33%
|
|
psi4/src/psi4/libmints/local.h
|
3
|
0
|
0
|
3
|
0.00%
|
|
psi4/src/psi4/libmints/maketab.cc
|
335
|
324
|
0
|
11
|
96.72%
|
|
psi4/src/psi4/libmints/matrix.cc
|
2,036
|
1,225
|
0
|
811
|
60.17%
|
|
psi4/src/psi4/libmints/matrix.h
|
41
|
28
|
0
|
13
|
68.29%
|
|
psi4/src/psi4/libmints/mintshelper.cc
|
2,356
|
1,833
|
0
|
523
|
77.80%
|
|
psi4/src/psi4/libmints/mintshelper.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/molecule.cc
|
1,710
|
1,431
|
0
|
279
|
83.68%
|
|
psi4/src/psi4/libmints/molecule.h
|
35
|
32
|
0
|
3
|
91.43%
|
|
psi4/src/psi4/libmints/multiarr.h
|
45
|
45
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/multipolepotential.cc
|
131
|
129
|
0
|
2
|
98.47%
|
|
psi4/src/psi4/libmints/multipoles.cc
|
115
|
114
|
0
|
1
|
99.13%
|
|
psi4/src/psi4/libmints/multipoles.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libmints/multipolesymmetry.cc
|
135
|
123
|
0
|
12
|
91.11%
|
|
psi4/src/psi4/libmints/multipolesymmetry.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/nabla.cc
|
83
|
79
|
0
|
4
|
95.18%
|
|
psi4/src/psi4/libmints/nabla.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/oeprop.cc
|
1,831
|
1,218
|
0
|
613
|
66.52%
|
|
psi4/src/psi4/libmints/oeprop.h
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/onebody.cc
|
209
|
142
|
0
|
67
|
67.94%
|
|
psi4/src/psi4/libmints/onebody.h
|
2
|
1
|
0
|
1
|
50.00%
|
|
psi4/src/psi4/libmints/orbitalspace.cc
|
125
|
1
|
0
|
124
|
0.80%
|
|
psi4/src/psi4/libmints/orbitalspace.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/orthog.cc
|
227
|
201
|
0
|
26
|
88.55%
|
|
psi4/src/psi4/libmints/orthog.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/osrecur.cc
|
2,744
|
2,327
|
0
|
417
|
84.80%
|
|
psi4/src/psi4/libmints/osrecur.h
|
51
|
42
|
0
|
9
|
82.35%
|
|
psi4/src/psi4/libmints/overlap.cc
|
244
|
243
|
0
|
1
|
99.59%
|
|
psi4/src/psi4/libmints/overlap.h
|
2
|
0
|
0
|
2
|
0.00%
|
|
psi4/src/psi4/libmints/petitelist.cc
|
491
|
361
|
0
|
130
|
73.52%
|
|
psi4/src/psi4/libmints/petitelist.h
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/pointgrp.cc
|
199
|
91
|
0
|
108
|
45.73%
|
|
psi4/src/psi4/libmints/pointgrp.h
|
52
|
49
|
0
|
3
|
94.23%
|
|
psi4/src/psi4/libmints/potential.cc
|
582
|
445
|
0
|
137
|
76.46%
|
|
psi4/src/psi4/libmints/potential.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/potentialint.cc
|
5
|
1
|
0
|
4
|
20.00%
|
|
psi4/src/psi4/libmints/potentialint.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/pseudospectral.cc
|
177
|
1
|
0
|
176
|
0.56%
|
|
psi4/src/psi4/libmints/pseudospectral.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/psimath.cc
|
538
|
10
|
0
|
528
|
1.86%
|
|
psi4/src/psi4/libmints/quadrupole.cc
|
112
|
112
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/rel_potential.cc
|
129
|
113
|
0
|
16
|
87.60%
|
|
psi4/src/psi4/libmints/rel_potential.h
|
2
|
1
|
0
|
1
|
50.00%
|
|
psi4/src/psi4/libmints/rep.cc
|
131
|
2
|
0
|
129
|
1.53%
|
|
psi4/src/psi4/libmints/shellrotation.cc
|
129
|
78
|
0
|
51
|
60.47%
|
|
psi4/src/psi4/libmints/shellrotation.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/sieve.cc
|
181
|
85
|
0
|
96
|
46.96%
|
|
psi4/src/psi4/libmints/sieve.h
|
12
|
10
|
0
|
2
|
83.33%
|
|
psi4/src/psi4/libmints/sobasis.cc
|
246
|
187
|
0
|
59
|
76.02%
|
|
psi4/src/psi4/libmints/sobasis.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/sointegral.cc
|
240
|
210
|
0
|
30
|
87.50%
|
|
psi4/src/psi4/libmints/sointegral_onebody.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libmints/sointegral_twobody.h
|
499
|
498
|
0
|
1
|
99.80%
|
|
psi4/src/psi4/libmints/solidharmonics.cc
|
98
|
96
|
0
|
2
|
97.96%
|
|
psi4/src/psi4/libmints/symop.cc
|
94
|
56
|
0
|
38
|
59.57%
|
|
psi4/src/psi4/libmints/tracelessquadrupole.cc
|
101
|
101
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/transform.cc
|
61
|
58
|
0
|
3
|
95.08%
|
|
psi4/src/psi4/libmints/twobody.cc
|
570
|
245
|
0
|
325
|
42.98%
|
|
psi4/src/psi4/libmints/twobody.h
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/typedefs.h
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/vector.cc
|
167
|
105
|
0
|
62
|
62.87%
|
|
psi4/src/psi4/libmints/vector.h
|
19
|
12
|
0
|
7
|
63.16%
|
|
psi4/src/psi4/libmints/vector3.h
|
44
|
35
|
0
|
9
|
79.55%
|
|
psi4/src/psi4/libmints/vector3.i
|
21
|
21
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmints/wavefunction.cc
|
733
|
533
|
0
|
200
|
72.71%
|
|
psi4/src/psi4/libmints/wavefunction.h
|
36
|
29
|
0
|
7
|
80.56%
|
|
psi4/src/psi4/libmints/writer.cc
|
722
|
69
|
0
|
653
|
9.56%
|
|
psi4/src/psi4/libmints/writer.h
|
5
|
1
|
0
|
4
|
20.00%
|
|
psi4/src/psi4/libmints/x2cint.cc
|
203
|
196
|
0
|
7
|
96.55%
|
|
psi4/src/psi4/libmoinfo/model_space.cc
|
21
|
1
|
0
|
20
|
4.76%
|
|
psi4/src/psi4/libmoinfo/model_space_build.cc
|
56
|
1
|
0
|
55
|
1.79%
|
|
psi4/src/psi4/libmoinfo/moinfo.cc
|
228
|
206
|
0
|
22
|
90.35%
|
|
psi4/src/psi4/libmoinfo/moinfo.h
|
43
|
42
|
0
|
1
|
97.67%
|
|
psi4/src/psi4/libmoinfo/moinfo_base.cc
|
184
|
68
|
0
|
116
|
36.96%
|
|
psi4/src/psi4/libmoinfo/moinfo_base.h
|
12
|
12
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libmoinfo/moinfo_mappings.cc
|
85
|
82
|
0
|
3
|
96.47%
|
|
psi4/src/psi4/libmoinfo/moinfo_model_space.cc
|
175
|
140
|
0
|
35
|
80.00%
|
|
psi4/src/psi4/libmoinfo/moinfo_scf.cc
|
64
|
60
|
0
|
4
|
93.75%
|
|
psi4/src/psi4/libmoinfo/moinfo_slaterdeterminant.cc
|
119
|
116
|
0
|
3
|
97.48%
|
|
psi4/src/psi4/libmoinfo/slater_determinant.cc
|
22
|
0
|
0
|
22
|
0.00%
|
|
psi4/src/psi4/libmoinfo/slater_determinant.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/liboptions/liboptions.cc
|
569
|
345
|
0
|
224
|
60.63%
|
|
psi4/src/psi4/liboptions/liboptions.h
|
16
|
10
|
0
|
6
|
62.50%
|
|
psi4/src/psi4/liboptions/print.cc
|
81
|
43
|
0
|
38
|
53.09%
|
|
psi4/src/psi4/libplugin/close_plugin.cc
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libplugin/load_plugin.cc
|
30
|
1
|
0
|
29
|
3.33%
|
|
psi4/src/psi4/libplugin/plugin.h
|
1
|
0
|
0
|
1
|
0.00%
|
|
psi4/src/psi4/libpsi4util/PsiOutStream.cc
|
32
|
23
|
0
|
9
|
71.88%
|
|
psi4/src/psi4/libpsi4util/PsiOutStream.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsi4util/combinations.cc
|
14
|
14
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsi4util/exception.cc
|
90
|
33
|
0
|
57
|
36.67%
|
|
psi4/src/psi4/libpsi4util/exception.h
|
24
|
0
|
0
|
24
|
0.00%
|
|
psi4/src/psi4/libpsi4util/libpsi4util.h
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsi4util/memory_manager.cc
|
40
|
16
|
0
|
24
|
40.00%
|
|
psi4/src/psi4/libpsi4util/memory_manager.h
|
1
|
1
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsi4util/process.cc
|
33
|
25
|
0
|
8
|
75.76%
|
|
psi4/src/psi4/libpsi4util/process.h
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsi4util/stl_string.cc
|
81
|
77
|
0
|
4
|
95.06%
|
|
psi4/src/psi4/libpsio/aio_handler.cc
|
292
|
88
|
0
|
204
|
30.14%
|
|
psi4/src/psi4/libpsio/change_namespace.cc
|
18
|
17
|
0
|
1
|
94.44%
|
|
psi4/src/psi4/libpsio/close.cc
|
24
|
24
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/done.cc
|
9
|
5
|
0
|
4
|
55.56%
|
|
psi4/src/psi4/libpsio/error.cc
|
67
|
1
|
0
|
66
|
1.49%
|
|
psi4/src/psi4/libpsio/filemanager.cc
|
126
|
91
|
0
|
35
|
72.22%
|
|
psi4/src/psi4/libpsio/filescfg.cc
|
28
|
23
|
0
|
5
|
82.14%
|
|
psi4/src/psi4/libpsio/get_address.cc
|
8
|
8
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/get_filename.cc
|
37
|
16
|
0
|
21
|
43.24%
|
|
psi4/src/psi4/libpsio/get_global_address.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/get_numvols.cc
|
18
|
10
|
0
|
8
|
55.56%
|
|
psi4/src/psi4/libpsio/get_volpath.cc
|
32
|
13
|
0
|
19
|
40.63%
|
|
psi4/src/psi4/libpsio/getpid.cc
|
12
|
10
|
0
|
2
|
83.33%
|
|
psi4/src/psi4/libpsio/init.cc
|
41
|
34
|
0
|
7
|
82.93%
|
|
psi4/src/psi4/libpsio/open.cc
|
89
|
45
|
0
|
44
|
50.56%
|
|
psi4/src/psi4/libpsio/open_check.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/psio.hpp
|
7
|
4
|
0
|
3
|
57.14%
|
|
psi4/src/psi4/libpsio/read.cc
|
30
|
20
|
0
|
10
|
66.67%
|
|
psi4/src/psi4/libpsio/read_entry.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/rename_file.cc
|
18
|
18
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/rw.cc
|
46
|
40
|
0
|
6
|
86.96%
|
|
psi4/src/psi4/libpsio/tocclean.cc
|
21
|
0
|
0
|
21
|
0.00%
|
|
psi4/src/psi4/libpsio/toclast.cc
|
4
|
4
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/toclen.cc
|
29
|
17
|
0
|
12
|
58.62%
|
|
psi4/src/psi4/libpsio/tocprint.cc
|
16
|
1
|
0
|
15
|
6.25%
|
|
psi4/src/psi4/libpsio/tocread.cc
|
23
|
23
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/tocscan.cc
|
28
|
26
|
0
|
2
|
92.86%
|
|
psi4/src/psi4/libpsio/tocwrite.cc
|
14
|
14
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libpsio/volseek.cc
|
12
|
9
|
0
|
3
|
75.00%
|
|
psi4/src/psi4/libpsio/write.cc
|
57
|
51
|
0
|
6
|
89.47%
|
|
psi4/src/psi4/libpsio/write_entry.cc
|
7
|
7
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libqt/3d_array.cc
|
15
|
0
|
0
|
15
|
0.00%
|
|
psi4/src/psi4/libqt/blas_intfc.cc
|
87
|
65
|
0
|
22
|
74.71%
|
|
psi4/src/psi4/libqt/blas_intfc23.cc
|
221
|
24
|
0
|
197
|
10.86%
|
|
psi4/src/psi4/libqt/cc_excited.cc
|
11
|
7
|
0
|
4
|
63.64%
|
|
psi4/src/psi4/libqt/david.cc
|
127
|
108
|
0
|
19
|
85.04%
|
|
psi4/src/psi4/libqt/dirprd_block.cc
|
6
|
6
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libqt/dot_block.cc
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libqt/dx_read.cc
|
71
|
1
|
0
|
70
|
1.41%
|
|
psi4/src/psi4/libqt/dx_write.cc
|
160
|
4
|
0
|
156
|
2.50%
|
|
psi4/src/psi4/libqt/fill_sym_matrix.cc
|
10
|
10
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libqt/invert.cc
|
20
|
18
|
0
|
2
|
90.00%
|
|
psi4/src/psi4/libqt/lapack_intfc.cc
|
572
|
36
|
0
|
536
|
6.29%
|
|
psi4/src/psi4/libqt/mat_print.cc
|
26
|
18
|
0
|
8
|
69.23%
|
|
psi4/src/psi4/libqt/newmm_rking.cc
|
464
|
306
|
0
|
158
|
65.95%
|
|
psi4/src/psi4/libqt/normalize.cc
|
6
|
0
|
0
|
6
|
0.00%
|
|
psi4/src/psi4/libqt/pople.cc
|
119
|
103
|
0
|
16
|
86.55%
|
|
psi4/src/psi4/libqt/probabil.cc
|
14
|
12
|
0
|
2
|
85.71%
|
|
psi4/src/psi4/libqt/ras_set.cc
|
161
|
128
|
0
|
33
|
79.50%
|
|
psi4/src/psi4/libqt/reorder_qt.cc
|
128
|
114
|
0
|
14
|
89.06%
|
|
psi4/src/psi4/libqt/schmidt.cc
|
9
|
9
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libqt/schmidt_add.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libqt/solve_pep.cc
|
34
|
1
|
0
|
33
|
2.94%
|
|
psi4/src/psi4/libqt/timer.cc
|
817
|
244
|
0
|
573
|
29.87%
|
|
psi4/src/psi4/libsapt_solver/amplitudes.cc
|
823
|
755
|
0
|
68
|
91.74%
|
|
psi4/src/psi4/libsapt_solver/disp20.cc
|
86
|
38
|
0
|
48
|
44.19%
|
|
psi4/src/psi4/libsapt_solver/disp21.cc
|
36
|
32
|
0
|
4
|
88.89%
|
|
psi4/src/psi4/libsapt_solver/disp22sdq.cc
|
275
|
259
|
0
|
16
|
94.18%
|
|
psi4/src/psi4/libsapt_solver/disp22t.cc
|
263
|
231
|
0
|
32
|
87.83%
|
|
psi4/src/psi4/libsapt_solver/disp2ccd.cc
|
1,207
|
1,193
|
0
|
14
|
98.84%
|
|
psi4/src/psi4/libsapt_solver/disp30.cc
|
146
|
146
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libsapt_solver/elst10.cc
|
11
|
11
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libsapt_solver/elst12.cc
|
35
|
30
|
0
|
5
|
85.71%
|
|
psi4/src/psi4/libsapt_solver/elst13.cc
|
35
|
30
|
0
|
5
|
85.71%
|
|
psi4/src/psi4/libsapt_solver/exch-disp20.cc
|
1,195
|
1,106
|
0
|
89
|
92.55%
|
|
psi4/src/psi4/libsapt_solver/exch-disp30.cc
|
293
|
289
|
0
|
4
|
98.63%
|
|
psi4/src/psi4/libsapt_solver/exch-ind-disp30.cc
|
594
|
589
|
0
|
5
|
99.16%
|
|
psi4/src/psi4/libsapt_solver/exch-ind20.cc
|
705
|
676
|
0
|
29
|
95.89%
|
|
psi4/src/psi4/libsapt_solver/exch-ind30.cc
|
176
|
171
|
0
|
5
|
97.16%
|
|
psi4/src/psi4/libsapt_solver/exch10.cc
|
441
|
411
|
0
|
30
|
93.20%
|
|
psi4/src/psi4/libsapt_solver/exch11.cc
|
96
|
86
|
0
|
10
|
89.58%
|
|
psi4/src/psi4/libsapt_solver/exch12.cc
|
1,131
|
1,096
|
0
|
35
|
96.91%
|
|
psi4/src/psi4/libsapt_solver/fdds_disp.cc
|
617
|
570
|
0
|
47
|
92.38%
|
|
psi4/src/psi4/libsapt_solver/fdds_disp.h
|
5
|
5
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libsapt_solver/ind-disp30.cc
|
31
|
28
|
0
|
3
|
90.32%
|
|
psi4/src/psi4/libsapt_solver/ind20.cc
|
609
|
290
|
0
|
319
|
47.62%
|
|
psi4/src/psi4/libsapt_solver/ind22.cc
|
233
|
224
|
0
|
9
|
96.14%
|
|
psi4/src/psi4/libsapt_solver/ind30.cc
|
83
|
78
|
0
|
5
|
93.98%
|
|
psi4/src/psi4/libsapt_solver/sapt.cc
|
239
|
197
|
0
|
42
|
82.43%
|
|
psi4/src/psi4/libsapt_solver/sapt0.cc
|
1,141
|
774
|
0
|
367
|
67.84%
|
|
psi4/src/psi4/libsapt_solver/sapt0.h
|
27
|
27
|
0
|
0
|
100.00%
|
|
psi4/src/psi4/libsapt_solver/sapt2.cc
|
658
|
649
|
0
|
9
|
98.63%
|
|
psi4/src/psi4/libsapt_solver/sapt2p.cc
|
321
|
315
|
0
|
6
|
98.13%
|
|
psi4/src/psi4/libsapt_solver/sapt2p3.cc
|
428
|
415
|
0
|
13
|
96.96%
|
|
psi4/src/psi4/libsapt_solver/usapt0.cc
|
1,986
|
1,954
|
0
|
32
|
98.39%
|
|
psi4/src/psi4/libsapt_solver/utils.cc
|
860
|
648
|
0
|
212
|
75.35%
|
|
psi4/src/psi4/libscf_solver/cuhf.cc
|
261
|
209
|
0
|
52
|
80.08%
|
|
psi4/src/psi4/libscf_solver/frac.cc
< |
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