Name | Date | Size | #Lines | LOC | ||
---|---|---|---|---|---|---|
.. | 03-May-2022 | - | ||||
atom/ | H | 03-May-2022 | - | 1,448 | 889 | |
basistool/ | H | 03-May-2022 | - | 884 | 559 | |
casida/ | H | 03-May-2022 | - | 1,826 | 1,092 | |
completeness/ | H | 03-May-2022 | - | 1,330 | 720 | |
contrib/ | H | 03-May-2022 | - | 9,440 | 6,126 | |
emd/ | H | 03-May-2022 | - | 4,188 | 2,328 | |
external/ | H | 03-May-2022 | - | 3,599 | 2,342 | |
slaterfit/ | H | 03-May-2022 | - | 774 | 412 | |
test/ | H | 03-May-2022 | - | 734 | 501 | |
xrs/ | H | 03-May-2022 | - | 3,279 | 1,877 | |
bader.cpp | H A D | 15-Feb-2021 | 37.6 KiB | 1,439 | 944 | |
bader.h | H A D | 15-Feb-2021 | 4.2 KiB | 148 | 53 | |
badergrid.cpp | H A D | 15-Feb-2021 | 15.6 KiB | 593 | 396 | |
badergrid.h | H A D | 15-Feb-2021 | 2.3 KiB | 87 | 27 | |
basis.cpp | H A D | 15-Feb-2021 | 103.7 KiB | 4,086 | 2,576 | |
basis.h | H A D | 15-Feb-2021 | 23.6 KiB | 728 | 268 | |
basislibrary.cpp | H A D | 15-Feb-2021 | 57.9 KiB | 2,316 | 1,569 | |
basislibrary.h | H A D | 15-Feb-2021 | 9.7 KiB | 327 | 105 | |
boys.cpp | H A D | 15-Feb-2021 | 3.3 KiB | 162 | 97 | |
boys.h | H A D | 15-Feb-2021 | 1.3 KiB | 52 | 18 | |
broyden.cpp | H A D | 15-Feb-2021 | 2.6 KiB | 115 | 66 | |
broyden.h | H A D | 15-Feb-2021 | 2.2 KiB | 87 | 23 | |
chebyshev.cpp | H A D | 15-Feb-2021 | 2.3 KiB | 100 | 49 | |
chebyshev.h | H A D | 15-Feb-2021 | 1.3 KiB | 35 | 8 | |
checkpoint.cpp | H A D | 15-Feb-2021 | 31.2 KiB | 1,233 | 751 | |
checkpoint.h | H A D | 15-Feb-2021 | 4.4 KiB | 188 | 71 | |
cube.cpp | H A D | 15-Feb-2021 | 29.9 KiB | 1,142 | 762 | |
density_fitting.cpp | H A D | 15-Feb-2021 | 28.7 KiB | 1,173 | 838 | |
density_fitting.h | H A D | 15-Feb-2021 | 5.2 KiB | 174 | 55 | |
dftfuncs.cpp | H A D | 15-Feb-2021 | 17.6 KiB | 754 | 558 | |
dftfuncs.h | H A D | 15-Feb-2021 | 2.3 KiB | 79 | 27 | |
dftgrid.cpp | H A D | 15-Feb-2021 | 128.9 KiB | 5,278 | 3,504 | |
dftgrid.h | H A D | 15-Feb-2021 | 27.1 KiB | 800 | 346 | |
diis.cpp | H A D | 15-Feb-2021 | 15.1 KiB | 640 | 407 | |
diis.h | H A D | 15-Feb-2021 | 6.2 KiB | 240 | 81 | |
elements.cpp | H A D | 15-Feb-2021 | 1.8 KiB | 84 | 48 | |
elements.h | H A D | 15-Feb-2021 | 5.8 KiB | 101 | 58 | |
eri_digest.cpp | H A D | 15-Feb-2021 | 14.3 KiB | 566 | 322 | |
eri_digest.h | H A D | 15-Feb-2021 | 3.3 KiB | 133 | 60 | |
erichol.cpp | H A D | 15-Feb-2021 | 21.9 KiB | 862 | 615 | |
erichol.h | H A D | 15-Feb-2021 | 2.8 KiB | 102 | 38 | |
erifit.cpp | H A D | 15-Feb-2021 | 17.7 KiB | 662 | 404 | |
erifit.h | H A D | 15-Feb-2021 | 2.5 KiB | 69 | 25 | |
eriscreen.cpp | H A D | 15-Feb-2021 | 22 KiB | 900 | 645 | |
eriscreen.h | H A D | 15-Feb-2021 | 5 KiB | 124 | 43 | |
eritable.cpp | H A D | 15-Feb-2021 | 6.6 KiB | 300 | 197 | |
eritable.h | H A D | 15-Feb-2021 | 2.4 KiB | 100 | 33 | |
eriworker.cpp | H A D | 15-Feb-2021 | 38.1 KiB | 1,488 | 987 | |
eriworker.h | H A D | 15-Feb-2021 | 6.2 KiB | 204 | 87 | |
eriworker_gentransform.cpp | H A D | 15-Feb-2021 | 4.4 KiB | 151 | 109 | |
find_molecules.cpp | H A D | 15-Feb-2021 | 7.7 KiB | 270 | 124 | |
find_molecules.h | H A D | 15-Feb-2021 | 1.1 KiB | 33 | 8 | |
gaunt.cpp | H A D | 15-Feb-2021 | 1.6 KiB | 66 | 31 | |
gaunt.h | H A D | 15-Feb-2021 | 1.1 KiB | 48 | 14 | |
gdm.cpp | H A D | 15-Feb-2021 | 1.2 KiB | 55 | 25 | |
gdm.h | H A D | 15-Feb-2021 | 1.1 KiB | 49 | 16 | |
genlinconf.cpp | H A D | 15-Feb-2021 | 20.4 KiB | 692 | 497 | |
geometry.cpp | H A D | 15-Feb-2021 | 30.6 KiB | 1,203 | 820 | |
global.h | H A D | 15-Feb-2021 | 5.1 KiB | 146 | 50 | |
guess.cpp | H A D | 15-Feb-2021 | 15.6 KiB | 594 | 383 | |
guess.h | H A D | 15-Feb-2021 | 3.1 KiB | 107 | 25 | |
hirshfeld.cpp | H A D | 15-Feb-2021 | 7 KiB | 292 | 183 | |
hirshfeld.h | H A D | 15-Feb-2021 | 2.4 KiB | 96 | 38 | |
hirshfeldi.cpp | H A D | 15-Feb-2021 | 8.1 KiB | 324 | 199 | |
hirshfeldi.h | H A D | 15-Feb-2021 | 2.1 KiB | 65 | 20 | |
integrals.cpp | H A D | 15-Feb-2021 | 12.6 KiB | 441 | 209 | |
integrals.h | H A D | 15-Feb-2021 | 2.1 KiB | 50 | 13 | |
lbfgs.cpp | H A D | 15-Feb-2021 | 1.9 KiB | 92 | 46 | |
lbfgs.h | H A D | 15-Feb-2021 | 1.2 KiB | 53 | 18 | |
lebedev.cpp | H A D | 15-Feb-2021 | 180.1 KiB | 5,438 | 5,138 | |
lebedev.h | H A D | 15-Feb-2021 | 1.9 KiB | 54 | 17 | |
linalg.cpp | H A D | 15-Feb-2021 | 18.4 KiB | 738 | 455 | |
linalg.h | H A D | 15-Feb-2021 | 5.8 KiB | 182 | 69 | |
lmgrid.cpp | H A D | 15-Feb-2021 | 11.9 KiB | 465 | 275 | |
lmgrid.h | H A D | 15-Feb-2021 | 2.8 KiB | 83 | 31 | |
lobatto.cpp | H A D | 15-Feb-2021 | 26.9 KiB | 758 | 560 | |
lobatto.h | H A D | 15-Feb-2021 | 819 | 28 | 5 | |
localization.cpp | H A D | 15-Feb-2021 | 31 KiB | 1,334 | 942 | |
localization.h | H A D | 15-Feb-2021 | 7.6 KiB | 285 | 123 | |
localize.cpp | H A D | 15-Feb-2021 | 18.3 KiB | 614 | 383 | |
main.cpp | H A D | 15-Feb-2021 | 3.9 KiB | 163 | 111 | |
mathf.cpp | H A D | 15-Feb-2021 | 10.9 KiB | 460 | 282 | |
mathf.h | H A D | 15-Feb-2021 | 5 KiB | 182 | 84 | |
obara-saika.cpp | H A D | 15-Feb-2021 | 56.9 KiB | 2,066 | 1,319 | |
obara-saika.h | H A D | 15-Feb-2021 | 5.1 KiB | 79 | 25 | |
population.cpp | H A D | 15-Feb-2021 | 9.8 KiB | 379 | 258 | |
properties.cpp | H A D | 15-Feb-2021 | 23.3 KiB | 865 | 495 | |
properties.h | H A D | 15-Feb-2021 | 7.4 KiB | 176 | 56 | |
pzstability.cpp | H A D | 15-Feb-2021 | 81.2 KiB | 3,204 | 2,333 | |
pzstability.h | H A D | 15-Feb-2021 | 8.2 KiB | 263 | 111 | |
sap.cpp | H A D | 15-Feb-2021 | 1.9 KiB | 76 | 39 | |
sap.h | H A D | 15-Feb-2021 | 787 | 39 | 13 | |
scf-base.cpp | H A D | 15-Feb-2021 | 92.5 KiB | 3,379 | 2,392 | |
scf-fock.cpp.in | H A D | 15-Feb-2021 | 24.2 KiB | 941 | 815 | |
scf-force.cpp.in | H A D | 15-Feb-2021 | 4.2 KiB | 157 | 126 | |
scf-includes.cpp.in | H A D | 15-Feb-2021 | 930 | 42 | 37 | |
scf-solvers.cpp.in | H A D | 15-Feb-2021 | 22.2 KiB | 849 | 722 | |
scf.h | H A D | 15-Feb-2021 | 16.5 KiB | 551 | 223 | |
settings.cpp | H A D | 15-Feb-2021 | 18.9 KiB | 589 | 395 | |
settings.h | H A D | 15-Feb-2021 | 4.6 KiB | 153 | 64 | |
solidharmonics.cpp | H A D | 15-Feb-2021 | 4.1 KiB | 206 | 122 | |
solidharmonics.h | H A D | 15-Feb-2021 | 898 | 39 | 8 | |
spherical_harmonics.cpp | H A D | 15-Feb-2021 | 2.5 KiB | 90 | 44 | |
spherical_harmonics.h | H A D | 15-Feb-2021 | 1.1 KiB | 35 | 8 | |
stockholder.cpp | H A D | 15-Feb-2021 | 11.4 KiB | 457 | 246 | |
stockholder.h | H A D | 15-Feb-2021 | 2.4 KiB | 82 | 28 | |
stringutil.cpp | H A D | 15-Feb-2021 | 13.6 KiB | 612 | 405 | |
stringutil.h | H A D | 15-Feb-2021 | 2.9 KiB | 95 | 31 | |
tempered.cpp | H A D | 15-Feb-2021 | 2.2 KiB | 99 | 48 | |
tempered.h | H A D | 15-Feb-2021 | 1.9 KiB | 64 | 12 | |
timer.cpp | H A D | 15-Feb-2021 | 3.3 KiB | 161 | 98 | |
timer.h | H A D | 15-Feb-2021 | 1.5 KiB | 84 | 26 | |
trrh.cpp | H A D | 15-Feb-2021 | 8.3 KiB | 314 | 195 | |
trrh.h | H A D | 15-Feb-2021 | 1.3 KiB | 38 | 7 | |
unitary.cpp | H A D | 15-Feb-2021 | 27.7 KiB | 1,176 | 735 | |
unitary.h | H A D | 15-Feb-2021 | 7.3 KiB | 263 | 106 | |
xyzutils.cpp | H A D | 15-Feb-2021 | 4.5 KiB | 167 | 104 | |
xyzutils.h | H A D | 15-Feb-2021 | 1.4 KiB | 56 | 18 | |
zmatrix.cpp | H A D | 15-Feb-2021 | 8.9 KiB | 339 | 225 | |
zmatrix.h | H A D | 15-Feb-2021 | 741 | 29 | 7 |