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adc1 Updates input docstrings and updates samples. May 13, 2017
adc2 Updates input docstrings and updates samples. May 13, 2017
ao-casscf-sp update samples Mar 15, 2017
ao-dfcasscf-sp update samples Mar 15, 2017
casscf-fzc-sp update samples Mar 15, 2017
casscf-sa-sp update samples Mar 15, 2017
casscf-semi Require py27 in cmake, update samples Jul 18, 2017
casscf-sp Require py27 in cmake, update samples Jul 18, 2017
castup1 Updates input docstrings and updates samples. May 13, 2017
castup2 Updates input docstrings and updates samples. May 13, 2017
castup3 Updates input docstrings and updates samples. May 13, 2017
cbs-delta-energy Updates input docstrings and updates samples. May 13, 2017
cbs-parser updates samples/ May 14, 2018
cbs-xtpl-alpha updates samples/ May 14, 2018
cbs-xtpl-energy Updates input docstrings and updates samples. May 13, 2017
cbs-xtpl-freq Updates input docstrings and updates samples. May 13, 2017
cbs-xtpl-func update samples Mar 15, 2017
cbs-xtpl-gradient Require py27 in cmake, update samples Jul 18, 2017
cbs-xtpl-opt
cbs-xtpl-wrapper Require py27 in cmake, update samples Jul 18, 2017
cc-module updates samples/ May 14, 2018
cc1 Updates input docstrings and updates samples. May 13, 2017
cc10 Updates input docstrings and updates samples. May 13, 2017
cc11 Updates input docstrings and updates samples. May 13, 2017
cc12 Updates input docstrings and updates samples. May 13, 2017
cc13 Updates input docstrings and updates samples. May 13, 2017
cc13a Updates input docstrings and updates samples. May 13, 2017
cc13b Require py27 in cmake, update samples Jul 18, 2017
cc13c Require py27 in cmake, update samples Jul 18, 2017
cc13d Updates input docstrings and updates samples. May 13, 2017
cc14 Updates input docstrings and updates samples. May 13, 2017
cc15
cc16 Updates input docstrings and updates samples. May 13, 2017
cc17 Updates input docstrings and updates samples. May 13, 2017
cc18 Updates samples. Removes a couple empty ones. May 18, 2017
cc19 Updates samples. Removes a couple empty ones. May 18, 2017
cc2 Updates input docstrings and updates samples. May 13, 2017
cc21 Updates input docstrings and updates samples. May 13, 2017
cc22 Updates input docstrings and updates samples. May 13, 2017
cc23 Updates input docstrings and updates samples. May 13, 2017
cc24 Updates input docstrings and updates samples. May 13, 2017
cc25 Updates input docstrings and updates samples. May 13, 2017
cc26 Updates input docstrings and updates samples. May 13, 2017
cc27 Updates input docstrings and updates samples. May 13, 2017
cc28 Updates samples. Removes a couple empty ones. May 18, 2017
cc29 updates samples/ May 14, 2018
cc3 Updates input docstrings and updates samples. May 13, 2017
cc30 Updates samples. Removes a couple empty ones. May 18, 2017
cc31 Updates samples. Removes a couple empty ones. May 18, 2017
cc32 Updates input docstrings and updates samples. May 13, 2017
cc33 Updates input docstrings and updates samples. May 13, 2017
cc34 Updates input docstrings and updates samples. May 13, 2017
cc35 Updates input docstrings and updates samples. May 13, 2017
cc36
cc37 Updates input docstrings and updates samples. May 13, 2017
cc38 updates samples/ May 14, 2018
cc39 updates samples/ May 14, 2018
cc4 Require py27 in cmake, update samples Jul 18, 2017
cc40 Updates samples. Removes a couple empty ones. May 18, 2017
cc41 Updates samples. Removes a couple empty ones. May 18, 2017
cc42 Updates samples. Removes a couple empty ones. May 18, 2017
cc43 Updates samples. Removes a couple empty ones. May 18, 2017
cc44 Updates input docstrings and updates samples. May 13, 2017
cc45 Updates input docstrings and updates samples. May 13, 2017
cc46 Updates samples. Removes a couple empty ones. May 18, 2017
cc47 Updates samples. Removes a couple empty ones. May 18, 2017
cc48 Updates samples. Removes a couple empty ones. May 18, 2017
cc49 Updates input docstrings and updates samples. May 13, 2017
cc4a Updates input docstrings and updates samples. May 13, 2017
cc5 consolidate samples in outer dir Aug 1, 2016
cc50 Updates input docstrings and updates samples. May 13, 2017
cc51 Updates input docstrings and updates samples. May 13, 2017
cc52 Updates samples. Removes a couple empty ones. May 18, 2017
cc53 consolidate samples in outer dir Aug 1, 2016
cc54 Updates samples. Removes a couple empty ones. May 18, 2017
cc55 Updates samples. Removes a couple empty ones. May 18, 2017
cc5a Updates input docstrings and updates samples. May 13, 2017
cc6 consolidate samples in outer dir Aug 1, 2016
cc7 updates samples/ May 14, 2018
cc8 Updates input docstrings and updates samples. May 13, 2017
cc8a updates samples/ May 14, 2018
cc8b Updates input docstrings and updates samples. May 13, 2017
cc8c Updates input docstrings and updates samples. May 13, 2017
cc9
cc9a Updates input docstrings and updates samples. May 13, 2017
cdomp2-1 Updates input docstrings and updates samples. May 13, 2017
cdomp2-2 Updates input docstrings and updates samples. May 13, 2017
cepa-module Updates input docstrings and updates samples. May 13, 2017
cepa0-grad1 Require py27 in cmake, update samples Jul 18, 2017
cepa0-grad2 Require py27 in cmake, update samples Jul 18, 2017
cepa1 consolidate samples in outer dir Aug 1, 2016
cepa2 consolidate samples in outer dir Aug 1, 2016
cepa3 Updates samples. Removes a couple empty ones. May 18, 2017
cepa4 Require py27 in cmake, update samples Jul 18, 2017
cfour
chemps2 update samples Nov 21, 2016
ci-multi consolidate samples in outer dir Aug 1, 2016
ci-property Require py27 in cmake, update samples Jul 18, 2017
cisd-h2o+-0 Updates input docstrings and updates samples. May 13, 2017
cisd-h2o+-1 Updates input docstrings and updates samples. May 13, 2017
cisd-h2o+-2 Updates input docstrings and updates samples. May 13, 2017
cisd-h2o-clpse Updates input docstrings and updates samples. May 13, 2017
cisd-opt-fd Updates input docstrings and updates samples. May 13, 2017
cisd-sp-2
cisd-sp Updates input docstrings and updates samples. May 13, 2017
cookbook/rohf-orb-rot
cubeprop-esp updates samples/ May 14, 2018
cubeprop updates samples/ May 14, 2018
dcft-grad1 Require py27 in cmake, update samples Jul 18, 2017
dcft-grad2 Require py27 in cmake, update samples Jul 18, 2017
dcft-grad3 Require py27 in cmake, update samples Jul 18, 2017
dcft-grad4 Require py27 in cmake, update samples Jul 18, 2017
dcft1 Updates input docstrings and updates samples. May 13, 2017
dcft2 Updates input docstrings and updates samples. May 13, 2017
dcft3 Updates input docstrings and updates samples. May 13, 2017
dcft4 Updates input docstrings and updates samples. May 13, 2017
dcft5 Updates input docstrings and updates samples. May 13, 2017
dcft6 Updates input docstrings and updates samples. May 13, 2017
dcft7 Updates input docstrings and updates samples. May 13, 2017
dcft8 Updates input docstrings and updates samples. May 13, 2017
dcft9 Updates input docstrings and updates samples. May 13, 2017
decontract Updates input docstrings and updates samples. May 13, 2017
dfcasscf-fzc-sp Require py27 in cmake, update samples Jul 18, 2017
dfcasscf-sa-sp update samples Mar 15, 2017
dfcasscf-sp update samples Mar 15, 2017
dfccd-grad1 Require py27 in cmake, update samples Jul 18, 2017
dfccd1 Updates input docstrings and updates samples. May 13, 2017
dfccdl1 Updates input docstrings and updates samples. May 13, 2017
dfccsd-grad1 Require py27 in cmake, update samples Jul 18, 2017
dfccsd-t-grad1 updates samples/ May 14, 2018
dfccsd1 Updates input docstrings and updates samples. May 13, 2017
dfccsdat1 Updates input docstrings and updates samples. May 13, 2017
dfccsdl1 Updates input docstrings and updates samples. May 13, 2017
dfccsdt1 Updates input docstrings and updates samples. May 13, 2017
dfep2-1 updates samples/ May 14, 2018
dfep2-2 updates samples/ May 14, 2018
dfmp2-1 Updates input docstrings and updates samples. May 13, 2017
dfmp2-2
dfmp2-3 updates samples/ May 14, 2018
dfmp2-4 Updates input docstrings and updates samples. May 13, 2017
dfmp2-ecp updates samples/ May 14, 2018
dfmp2-grad1 Require py27 in cmake, update samples Jul 18, 2017
dfmp2-grad2 Require py27 in cmake, update samples Jul 18, 2017
dfmp2-grad3 Require py27 in cmake, update samples Jul 18, 2017
dfmp2-grad4 Require py27 in cmake, update samples Jul 18, 2017
dfmp2-grad5 Updates input docstrings and updates samples. May 13, 2017
dfomp2-1 Updates input docstrings and updates samples. May 13, 2017
dfomp2-2 Updates input docstrings and updates samples. May 13, 2017
dfomp2-3 Updates input docstrings and updates samples. May 13, 2017
dfomp2-4 Updates input docstrings and updates samples. May 13, 2017
dfomp2-grad1 Require py27 in cmake, update samples Jul 18, 2017
dfomp2-grad2 Require py27 in cmake, update samples Jul 18, 2017
dfomp2-grad3 updates samples/ May 14, 2018
dfomp2p5-1 Updates input docstrings and updates samples. May 13, 2017
dfomp2p5-2 Updates input docstrings and updates samples. May 13, 2017
dfomp2p5-grad1 Require py27 in cmake, update samples Jul 18, 2017
dfomp2p5-grad2 Require py27 in cmake, update samples Jul 18, 2017
dfomp3-1 Updates input docstrings and updates samples. May 13, 2017
dfomp3-2 Updates input docstrings and updates samples. May 13, 2017
dfomp3-grad1 Require py27 in cmake, update samples Jul 18, 2017
dfomp3-grad2 Require py27 in cmake, update samples Jul 18, 2017
dfrasscf-sp update samples Mar 15, 2017
dfscf-bz2 Updates input docstrings and updates samples. May 13, 2017
dft-b2plyp updates samples/ May 14, 2018
dft-b3lyp consolidate samples in outer dir Aug 1, 2016
dft-bench-interaction updates samples/ May 14, 2018
dft-bench-ionization updates samples/ May 14, 2018
dft-custom-dhdf
dft-custom-gga updates samples/ May 14, 2018
dft-custom-hybrid updates samples/ May 14, 2018
dft-custom-mgga updates samples/ May 14, 2018
dft-custom
dft-dldf Updates samples. Removes a couple empty ones. May 18, 2017
dft-dsd Updates samples. Removes a couple empty ones. May 18, 2017
dft-freq Updates input docstrings and updates samples. May 13, 2017
dft-ghost updates samples/ May 14, 2018
dft-grac updates samples/ May 14, 2018
dft-grad-lr1 More samples/ updates Jun 17, 2018
dft-grad-lr2 More samples/ updates Jun 17, 2018
dft-grad-lr3 More samples/ updates Jun 17, 2018
dft-grad-meta updates samples/ May 14, 2018
dft-grad1 updates samples/ May 14, 2018
dft-grad2 Require py27 in cmake, update samples Jul 18, 2017
dft-jk Require py27 in cmake, update samples Jul 18, 2017
dft-omega updates samples/ May 14, 2018
dft-pbe0-2 consolidate samples in outer dir Aug 1, 2016
dft-psivar Updates input docstrings and updates samples. May 13, 2017
dft-reference updates samples/ May 14, 2018
dft-smoke updates samples/ May 14, 2018
dft-vv10 updates samples/ May 14, 2018
dft1-alt Updates samples. Removes a couple empty ones. May 18, 2017
dft1 updates samples/ May 14, 2018
dft2
dft3 Updates input docstrings and updates samples. May 13, 2017
dftd3 updates samples/ May 14, 2018
dkh/molpro-2order Updates input docstrings and updates samples. May 13, 2017
erd Update samples/ Jun 18, 2018
extern1 Updates input docstrings and updates samples. May 13, 2017
extern2 Updates input docstrings and updates samples. May 13, 2017
fci-coverage Require py27 in cmake, update samples Jul 18, 2017
fci-dipole Updates input docstrings and updates samples. May 13, 2017
fci-h2o-2 Updates input docstrings and updates samples. May 13, 2017
fci-h2o-fzcv
fci-h2o Updates input docstrings and updates samples. May 13, 2017
fci-tdm-2 Updates input docstrings and updates samples. May 13, 2017
fci-tdm Updates input docstrings and updates samples. May 13, 2017
fcidump updates samples/ May 14, 2018
fd-freq-energy-large Require py27 in cmake, update samples Jul 18, 2017
fd-freq-energy Updates input docstrings and updates samples. May 13, 2017
fd-freq-gradient-large Require py27 in cmake, update samples Jul 18, 2017
fd-freq-gradient updates samples/ May 14, 2018
fd-gradient Updates input docstrings and updates samples. May 13, 2017
fnocc1 consolidate samples in outer dir Aug 1, 2016
fnocc2 consolidate samples in outer dir Aug 1, 2016
fnocc3 consolidate samples in outer dir Aug 1, 2016
fnocc4 consolidate samples in outer dir Aug 1, 2016
frac-ip-fitting
frac-traverse updates samples/ May 14, 2018
frac consolidate samples in outer dir Aug 1, 2016
freq-isotope1 updates samples/ May 14, 2018
freq-isotope2 updates samples/ May 14, 2018
fsapt-allterms updates samples/ May 14, 2018
fsapt-diff1 update samples Mar 15, 2017
fsapt-terms updates samples/ May 14, 2018
fsapt1 update samples Mar 15, 2017
fsapt2 update samples Mar 15, 2017
gcp update samples/ Jun 17, 2018
gdma/gdma1 update samples. docstring f/isapt tests Sep 23, 2016
ghosts Updates input docstrings and updates samples. May 13, 2017
gibbs Updates input docstrings and updates samples. May 13, 2017
gpu_dfcc update samples/ Jun 17, 2018
isapt1 updates samples/ May 14, 2018
isapt2 updates samples/ May 14, 2018
json Update samples/ Jun 18, 2018
libefp updates samples/ May 14, 2018
matrix1 Updates input docstrings and updates samples. May 13, 2017
mcscf1 Updates input docstrings and updates samples. May 13, 2017
mcscf2 Updates input docstrings and updates samples. May 13, 2017
mcscf3 Updates input docstrings and updates samples. May 13, 2017
mints-benchmark updates samples/ May 14, 2018
mints-helper Update samples Sep 21, 2017
mints1 Update samples Sep 21, 2017
mints10 Require py27 in cmake, update samples Jul 18, 2017
mints12 updates samples/ May 14, 2018
mints2 Updates input docstrings and updates samples. May 13, 2017
mints3 Require py27 in cmake, update samples Jul 18, 2017
mints4 Updates input docstrings and updates samples. May 13, 2017
mints5 Updates input docstrings and updates samples. May 13, 2017
mints6 Updates input docstrings and updates samples. May 13, 2017
mints8 Updates input docstrings and updates samples. May 13, 2017
mints9
molden1 Require py27 in cmake, update samples Jul 18, 2017
molden2 Updates input docstrings and updates samples. May 13, 2017
mom Updates input docstrings and updates samples. May 13, 2017
mp2-1 Updates input docstrings and updates samples. May 13, 2017
mp2-def2 consolidate samples in outer dir Aug 1, 2016
mp2-grad1
mp2-grad2 Require py27 in cmake, update samples Jul 18, 2017
mp2-module Require py27 in cmake, update samples Jul 18, 2017
mp2-property add testable counterparts to samples Jun 2, 2016
mp2p5-grad1 Require py27 in cmake, update samples Jul 18, 2017
mp2p5-grad2 Require py27 in cmake, update samples Jul 18, 2017
mp3-grad1 Require py27 in cmake, update samples Jul 18, 2017
mp3-grad2 Require py27 in cmake, update samples Jul 18, 2017
mpn-bh
mrcc Updates input docstrings and updates samples. May 13, 2017
nbody-he-cluster Updates input docstrings and updates samples. May 13, 2017
nbody-intermediates updates samples/ May 14, 2018
numpy-array-interface Require py27 in cmake, update samples Jul 18, 2017
ocepa-freq1 Updates input docstrings and updates samples. May 13, 2017
ocepa-grad1 Require py27 in cmake, update samples Jul 18, 2017
ocepa-grad2 Require py27 in cmake, update samples Jul 18, 2017
ocepa1 Updates input docstrings and updates samples. May 13, 2017
ocepa2 updates samples/ May 14, 2018
ocepa3 Updates input docstrings and updates samples. May 13, 2017
omp2-1 Updates input docstrings and updates samples. May 13, 2017
omp2-2
omp2-3 Updates input docstrings and updates samples. May 13, 2017
omp2-4 Updates input docstrings and updates samples. May 13, 2017
omp2-5 Updates input docstrings and updates samples. May 13, 2017
omp2-grad1 Require py27 in cmake, update samples Jul 18, 2017
omp2-grad2 Require py27 in cmake, update samples Jul 18, 2017
omp2p5-1 Updates input docstrings and updates samples. May 13, 2017
omp2p5-2 Updates input docstrings and updates samples. May 13, 2017
omp2p5-grad1 Require py27 in cmake, update samples Jul 18, 2017
omp2p5-grad2 Require py27 in cmake, update samples Jul 18, 2017
omp3-1 Updates input docstrings and updates samples. May 13, 2017
omp3-2 Updates input docstrings and updates samples. May 13, 2017
omp3-3 updates samples/ May 14, 2018
omp3-4 Updates input docstrings and updates samples. May 13, 2017
omp3-5 Updates input docstrings and updates samples. May 13, 2017
omp3-grad1 Require py27 in cmake, update samples Jul 18, 2017
omp3-grad2 Require py27 in cmake, update samples Jul 18, 2017
opt-freeze-coords
opt-irc-1 update samples. docstring f/isapt tests Sep 23, 2016
opt-irc-2
opt-multi-dimer-c1 update samples Mar 15, 2017
opt-multi-dimer-c2h update samples Mar 15, 2017
opt-multi-frozen-dimer-c2h update samples Mar 15, 2017
opt1-fd Updates input docstrings and updates samples. May 13, 2017
opt1 updates samples/ May 14, 2018
opt10 update samples Mar 15, 2017
opt11 consolidate samples in outer dir Aug 1, 2016
opt12 consolidate samples in outer dir Aug 1, 2016
opt13 consolidate samples in outer dir Aug 1, 2016
opt14 Updates input docstrings and updates samples. May 13, 2017
opt2-fd Updates input docstrings and updates samples. May 13, 2017
opt2 Updates input docstrings and updates samples. May 13, 2017
opt3 Updates input docstrings and updates samples. May 13, 2017
opt4 Updates input docstrings and updates samples. May 13, 2017
opt5 Updates input docstrings and updates samples. May 13, 2017
opt6 Updates input docstrings and updates samples. May 13, 2017
opt7 update samples Mar 15, 2017
opt8
opt9 update samples Mar 15, 2017
options1 Updates input docstrings and updates samples. May 13, 2017
pcmsolver updates samples/ May 14, 2018
props1 Updates input docstrings and updates samples. May 13, 2017
props2 updates samples/ May 14, 2018
props3 updates samples/ May 14, 2018
props4 updates samples/ May 14, 2018
psi4numpy There shall be no non-ascii chars for they anger the Python and the S… Jun 18, 2018
psimrcc-ccsd_t-1 Updates input docstrings and updates samples. May 13, 2017
psimrcc-ccsd_t-2 Updates input docstrings and updates samples. May 13, 2017
psimrcc-ccsd_t-3 Updates input docstrings and updates samples. May 13, 2017
psimrcc-ccsd_t-4 Updates input docstrings and updates samples. May 13, 2017
psimrcc-fd-freq1 Updates input docstrings and updates samples. May 13, 2017
psimrcc-fd-freq2 Updates input docstrings and updates samples. May 13, 2017
psimrcc-pt2 Updates input docstrings and updates samples. May 13, 2017
psimrcc-sp1 Updates input docstrings and updates samples. May 13, 2017
psithon1 Updates input docstrings and updates samples. May 13, 2017
psithon2 Updates input docstrings and updates samples. May 13, 2017
pubchem1 Updates input docstrings and updates samples. May 13, 2017
pubchem2 consolidate samples in outer dir Aug 1, 2016
python Update samples/ Jun 18, 2018
pywrap-alias Updates samples. Removes a couple empty ones. May 18, 2017
pywrap-align-chiral updates samples/ May 14, 2018
pywrap-align updates samples/ May 14, 2018
pywrap-all Updates input docstrings and updates samples. May 13, 2017
pywrap-basis Updates input docstrings and updates samples. May 13, 2017
pywrap-bfs updates samples/ May 14, 2018
pywrap-cbs1 updates samples/ May 14, 2018
pywrap-checkrun-convcrit consolidate samples in outer dir Aug 1, 2016
pywrap-checkrun-rhf Updates samples. Removes a couple empty ones. May 18, 2017
pywrap-checkrun-rohf Updates samples. Removes a couple empty ones. May 18, 2017
pywrap-checkrun-uhf Updates samples. Removes a couple empty ones. May 18, 2017
pywrap-db1 Updates input docstrings and updates samples. May 13, 2017
pywrap-db2
pywrap-db3 Require py27 in cmake, update samples Jul 18, 2017
pywrap-freq-e-sowreap updates samples/ May 14, 2018
pywrap-freq-g-sowreap updates samples/ May 14, 2018
pywrap-molecule update samples Oct 16, 2016
pywrap-opt-sowreap updates samples/ May 14, 2018
rasci-c2-active Updates input docstrings and updates samples. May 13, 2017
rasci-h2o Updates input docstrings and updates samples. May 13, 2017
rasci-ne Updates input docstrings and updates samples. May 13, 2017
rasscf-sp Require py27 in cmake, update samples Jul 18, 2017
sad1 Updates input docstrings and updates samples. May 13, 2017
sapt-compare Require py27 in cmake, update samples Jul 18, 2017
sapt-dft-api updates samples/ May 14, 2018
sapt-dft-lrc updates samples/ May 14, 2018
sapt-dft1 updates samples/ May 14, 2018
sapt-dft2 updates samples/ May 14, 2018
sapt-exch-ind-inf updates samples/ May 14, 2018
sapt-sf1 Add pyver badge, update samples, add some notes Jul 2, 2018
sapt1 Updates input docstrings and updates samples. May 13, 2017
sapt2 Updates input docstrings and updates samples. May 13, 2017
sapt3 Update samples Sep 21, 2017
sapt4 Updates input docstrings and updates samples. May 13, 2017
sapt5 Updates input docstrings and updates samples. May 13, 2017
sapt6 Updates input docstrings and updates samples. May 13, 2017
sapt7 update samples Nov 3, 2016
sapt8 update samples Oct 16, 2016
scf-bs
scf-bz2 Updates input docstrings and updates samples. May 13, 2017
scf-coverage updates samples/ May 14, 2018
scf-ecp Add ECP documentation and update samples May 18, 2017
scf-freq1 Added small manual section describing grid properties, which also upd… Jul 24, 2016
scf-guess-read1 Updates input docstrings and updates samples. May 13, 2017
scf-guess-read2 Updates input docstrings and updates samples. May 13, 2017
scf-hess1
scf-occ Require py27 in cmake, update samples Jul 18, 2017
scf-property Updates samples. Removes a couple empty ones. May 18, 2017
scf-response1 Update samples Sep 21, 2017
scf-upcast-custom-basis updates samples/ May 14, 2018
scf1 Updates input docstrings and updates samples. May 13, 2017
scf11-freq-from-energies Updates input docstrings and updates samples. May 13, 2017
scf2 Updates input docstrings and updates samples. May 13, 2017
scf3 Updates input docstrings and updates samples. May 13, 2017
scf4 Updates input docstrings and updates samples. May 13, 2017
scf5 Update samples/ Jun 18, 2018
scf6 Updates input docstrings and updates samples. May 13, 2017
scf7 Updates input docstrings and updates samples. May 13, 2017
simint Update samples/ Jun 18, 2018
snsmp2 update samples/ Jun 17, 2018
soscf-dft Update samples Sep 21, 2017
soscf-large Updates samples. Removes a couple empty ones. May 18, 2017
soscf-ref
stability1 Require py27 in cmake, update samples Jul 18, 2017
stability2 updates samples/ May 14, 2018
tu1-h2o-energy updates samples/ May 14, 2018
tu2-ch2-energy Updates input docstrings and updates samples. May 13, 2017
tu3-h2o-opt Updates input docstrings and updates samples. May 13, 2017
tu4-h2o-freq Updates input docstrings and updates samples. May 13, 2017
tu5-sapt Updates input docstrings and updates samples. May 13, 2017
tu6-cp-ne2 Updates input docstrings and updates samples. May 13, 2017
v2rdm_casscf update samples/ Jun 17, 2018
x2c1 update samples Mar 15, 2017
x2c2 consolidate samples in outer dir Aug 1, 2016
x2c3 update samples Oct 16, 2016
zaptn-nh2 Updates input docstrings and updates samples. May 13, 2017
example_psi4rc_file