package info
(click to toggle)
Folder: samples
.. (parent) | ||||
d | rwxr-xr-x | 30 | adc1 | |
d | rwxr-xr-x | 22 | adc2 | |
d | rwxr-xr-x | 30 | castup1 | |
d | rwxr-xr-x | 22 | castup2 | |
d | rwxr-xr-x | 30 | castup3 | |
d | rwxr-xr-x | 30 | cc1 | |
d | rwxr-xr-x | 22 | cc10 | |
d | rwxr-xr-x | 22 | cc11 | |
d | rwxr-xr-x | 30 | cc12 | |
d | rwxr-xr-x | 30 | cc13 | |
d | rwxr-xr-x | 30 | cc13a | |
d | rwxr-xr-x | 22 | cc14 | |
d | rwxr-xr-x | 22 | cc15 | |
d | rwxr-xr-x | 30 | cc16 | |
d | rwxr-xr-x | 22 | cc17 | |
d | rwxr-xr-x | 22 | cc18 | |
d | rwxr-xr-x | 30 | cc19 | |
d | rwxr-xr-x | 22 | cc2 | |
d | rwxr-xr-x | 30 | cc21 | |
d | rwxr-xr-x | 30 | cc22 | |
d | rwxr-xr-x | 30 | cc23 | |
d | rwxr-xr-x | 30 | cc24 | |
d | rwxr-xr-x | 22 | cc25 | |
d | rwxr-xr-x | 22 | cc26 | |
d | rwxr-xr-x | 30 | cc27 | |
d | rwxr-xr-x | 30 | cc28 | |
d | rwxr-xr-x | 22 | cc29 | |
d | rwxr-xr-x | 30 | cc3 | |
d | rwxr-xr-x | 22 | cc30 | |
d | rwxr-xr-x | 30 | cc31 | |
d | rwxr-xr-x | 22 | cc32 | |
d | rwxr-xr-x | 22 | cc33 | |
d | rwxr-xr-x | 22 | cc34 | |
d | rwxr-xr-x | 30 | cc35 | |
d | rwxr-xr-x | 30 | cc36 | |
d | rwxr-xr-x | 22 | cc37 | |
d | rwxr-xr-x | 30 | cc38 | |
d | rwxr-xr-x | 22 | cc39 | |
d | rwxr-xr-x | 22 | cc4 | |
d | rwxr-xr-x | 22 | cc40 | |
d | rwxr-xr-x | 30 | cc41 | |
d | rwxr-xr-x | 30 | cc42 | |
d | rwxr-xr-x | 30 | cc43 | |
d | rwxr-xr-x | 22 | cc44 | |
d | rwxr-xr-x | 30 | cc45 | |
d | rwxr-xr-x | 30 | cc46 | |
d | rwxr-xr-x | 22 | cc47 | |
d | rwxr-xr-x | 22 | cc48 | |
d | rwxr-xr-x | 22 | cc49 | |
d | rwxr-xr-x | 30 | cc4a | |
d | rwxr-xr-x | 22 | cc5 | |
d | rwxr-xr-x | 30 | cc50 | |
d | rwxr-xr-x | 22 | cc51 | |
d | rwxr-xr-x | 22 | cc52 | |
d | rwxr-xr-x | 22 | cc53 | |
d | rwxr-xr-x | 22 | cc54 | |
d | rwxr-xr-x | 22 | cc5a | |
d | rwxr-xr-x | 22 | cc6 | |
d | rwxr-xr-x | 22 | cc8 | |
d | rwxr-xr-x | 30 | cc8a | |
d | rwxr-xr-x | 22 | cc8b | |
d | rwxr-xr-x | 30 | cc8c | |
d | rwxr-xr-x | 30 | cc9 | |
d | rwxr-xr-x | 22 | cc9a | |
d | rwxr-xr-x | 22 | cepa0-grad1 | |
d | rwxr-xr-x | 22 | cepa0-grad2 | |
d | rwxr-xr-x | 30 | cepa1 | |
d | rwxr-xr-x | 22 | cepa2 | |
d | rwxr-xr-x | 30 | cepa3 | |
d | rwxr-xr-x | 22 | ci-multi | |
d | rwxr-xr-x | 30 | cisd-h2o+-0 | |
d | rwxr-xr-x | 22 | cisd-h2o+-1 | |
d | rwxr-xr-x | 30 | cisd-h2o+-2 | |
d | rwxr-xr-x | 22 | cisd-h2o-clpse | |
d | rwxr-xr-x | 30 | cisd-opt-fd | |
d | rwxr-xr-x | 22 | cisd-sp | |
d | rwxr-xr-x | 30 | cisd-sp-2 | |
d | rwxr-xr-x | 22 | dcft-grad1 | |
d | rwxr-xr-x | 22 | dcft1 | |
d | rwxr-xr-x | 22 | dcft2 | |
d | rwxr-xr-x | 22 | dcft3 | |
d | rwxr-xr-x | 22 | dcft4 | |
d | rwxr-xr-x | 22 | dcft5 | |
d | rwxr-xr-x | 30 | dcft6 | |
d | rwxr-xr-x | 30 | dcft7 | |
d | rwxr-xr-x | 22 | dfmp2-1 | |
d | rwxr-xr-x | 22 | dfmp2-2 | |
d | rwxr-xr-x | 30 | dfmp2-3 | |
d | rwxr-xr-x | 30 | dfmp2-4 | |
d | rwxr-xr-x | 22 | dfscf-bz2 | |
d | rwxr-xr-x | 22 | dft-b2plyp | |
d | rwxr-xr-x | 30 | dft-dldf | |
d | rwxr-xr-x | 22 | dft-freq | |
d | rwxr-xr-x | 22 | dft-grad | |
d | rwxr-xr-x | 22 | dft-pbe0-2 | |
d | rwxr-xr-x | 30 | dft-psivar | |
d | rwxr-xr-x | 22 | dft1 | |
d | rwxr-xr-x | 22 | dft1-alt | |
d | rwxr-xr-x | 22 | dft2 | |
d | rwxr-xr-x | 22 | dft3 | |
d | rwxr-xr-x | 30 | dftd3-energy | |
d | rwxr-xr-x | 30 | dftd3-grad | |
d | rwxr-xr-x | 30 | fci-dipole | |
d | rwxr-xr-x | 30 | fci-h2o | |
d | rwxr-xr-x | 22 | fci-h2o-2 | |
d | rwxr-xr-x | 22 | fci-h2o-fzcv | |
d | rwxr-xr-x | 30 | fci-tdm | |
d | rwxr-xr-x | 22 | fci-tdm-2 | |
d | rwxr-xr-x | 22 | fd-freq-energy | |
d | rwxr-xr-x | 30 | fd-freq-energy-large | |
d | rwxr-xr-x | 30 | fd-freq-gradient | |
d | rwxr-xr-x | 22 | fd-freq-gradient-large | |
d | rwxr-xr-x | 30 | fd-gradient | |
d | rwxr-xr-x | 30 | fnocc1 | |
d | rwxr-xr-x | 30 | fnocc2 | |
d | rwxr-xr-x | 22 | fnocc3 | |
d | rwxr-xr-x | 30 | fnocc4 | |
d | rwxr-xr-x | 22 | frac | |
d | rwxr-xr-x | 30 | ghosts | |
d | rwxr-xr-x | 30 | gibbs | |
d | rwxr-xr-x | 22 | matrix1 | |
d | rwxr-xr-x | 22 | mcscf1 | |
d | rwxr-xr-x | 30 | mcscf2 | |
d | rwxr-xr-x | 22 | mcscf3 | |
d | rwxr-xr-x | 30 | min_input | |
d | rwxr-xr-x | 22 | mints1 | |
d | rwxr-xr-x | 30 | mints2 | |
d | rwxr-xr-x | 30 | mints3 | |
d | rwxr-xr-x | 30 | mints4 | |
d | rwxr-xr-x | 22 | mints5 | |
d | rwxr-xr-x | 30 | mints6 | |
d | rwxr-xr-x | 22 | mints8 | |
d | rwxr-xr-x | 30 | mom | |
d | rwxr-xr-x | 30 | mp2-1 | |
d | rwxr-xr-x | 22 | mp2-grad1 | |
d | rwxr-xr-x | 30 | mp2-grad2 | |
d | rwxr-xr-x | 30 | mp2_5-grad1 | |
d | rwxr-xr-x | 22 | mp2_5-grad2 | |
d | rwxr-xr-x | 30 | mp3-grad1 | |
d | rwxr-xr-x | 22 | mp3-grad2 | |
d | rwxr-xr-x | 22 | mpn-bh | |
d | rwxr-xr-x | 30 | mrcc1 | |
d | rwxr-xr-x | 22 | mrcc2 | |
d | rwxr-xr-x | 30 | mrcc3 | |
d | rwxr-xr-x | 30 | mrcc4 | |
d | rwxr-xr-x | 30 | ocepa-freq1 | |
d | rwxr-xr-x | 30 | ocepa-grad1 | |
d | rwxr-xr-x | 22 | ocepa-grad2 | |
d | rwxr-xr-x | 30 | ocepa1 | |
d | rwxr-xr-x | 30 | ocepa2 | |
d | rwxr-xr-x | 22 | ocepa3 | |
d | rwxr-xr-x | 30 | omp2-1 | |
d | rwxr-xr-x | 22 | omp2-2 | |
d | rwxr-xr-x | 22 | omp2-3 | |
d | rwxr-xr-x | 30 | omp2-4 | |
d | rwxr-xr-x | 22 | omp2-5 | |
d | rwxr-xr-x | 30 | omp2-grad1 | |
d | rwxr-xr-x | 30 | omp2-grad2 | |
d | rwxr-xr-x | 22 | omp2_5-1 | |
d | rwxr-xr-x | 22 | omp2_5-2 | |
d | rwxr-xr-x | 30 | omp2_5-grad1 | |
d | rwxr-xr-x | 30 | omp2_5-grad2 | |
d | rwxr-xr-x | 30 | omp3-1 | |
d | rwxr-xr-x | 22 | omp3-2 | |
d | rwxr-xr-x | 22 | omp3-3 | |
d | rwxr-xr-x | 30 | omp3-4 | |
d | rwxr-xr-x | 30 | omp3-5 | |
d | rwxr-xr-x | 30 | omp3-grad1 | |
d | rwxr-xr-x | 22 | omp3-grad2 | |
d | rwxr-xr-x | 30 | opt1 | |
d | rwxr-xr-x | 30 | opt1-fd | |
d | rwxr-xr-x | 30 | opt2 | |
d | rwxr-xr-x | 30 | opt2-fd | |
d | rwxr-xr-x | 22 | opt3 | |
d | rwxr-xr-x | 30 | opt4 | |
d | rwxr-xr-x | 30 | opt5 | |
d | rwxr-xr-x | 22 | opt6 | |
d | rwxr-xr-x | 30 | opt7 | |
d | rwxr-xr-x | 30 | props1 | |
d | rwxr-xr-x | 22 | props2 | |
d | rwxr-xr-x | 22 | props3 | |
d | rwxr-xr-x | 22 | psimrcc-ccsd_t-1 | |
d | rwxr-xr-x | 22 | psimrcc-ccsd_t-2 | |
d | rwxr-xr-x | 30 | psimrcc-ccsd_t-3 | |
d | rwxr-xr-x | 30 | psimrcc-ccsd_t-4 | |
d | rwxr-xr-x | 22 | psimrcc-fd-freq1 | |
d | rwxr-xr-x | 30 | psimrcc-fd-freq2 | |
d | rwxr-xr-x | 30 | psimrcc-pt2 | |
d | rwxr-xr-x | 30 | psimrcc-sp1 | |
d | rwxr-xr-x | 22 | psithon1 | |
d | rwxr-xr-x | 30 | pubchem1 | |
d | rwxr-xr-x | 30 | pywrap-alias | |
d | rwxr-xr-x | 22 | pywrap-all | |
d | rwxr-xr-x | 30 | pywrap-basis | |
d | rwxr-xr-x | 22 | pywrap-cbs1 | |
d | rwxr-xr-x | 22 | pywrap-checkrun-convcrit | |
d | rwxr-xr-x | 22 | pywrap-checkrun-rhf | |
d | rwxr-xr-x | 30 | pywrap-checkrun-rohf | |
d | rwxr-xr-x | 22 | pywrap-checkrun-uhf | |
d | rwxr-xr-x | 30 | pywrap-db1 | |
d | rwxr-xr-x | 30 | pywrap-db2 | |
d | rwxr-xr-x | 22 | pywrap-db3 | |
d | rwxr-xr-x | 30 | pywrap-freq-e-sowreap | |
d | rwxr-xr-x | 30 | pywrap-opt-sowreap | |
d | rwxr-xr-x | 22 | rasci-c2-active | |
d | rwxr-xr-x | 22 | rasci-h2o | |
d | rwxr-xr-x | 30 | rasci-ne | |
d | rwxr-xr-x | 22 | sad1 | |
d | rwxr-xr-x | 30 | sapt1 | |
d | rwxr-xr-x | 30 | sapt2 | |
d | rwxr-xr-x | 22 | sapt3 | |
d | rwxr-xr-x | 30 | sapt4 | |
d | rwxr-xr-x | 22 | sapt5 | |
d | rwxr-xr-x | 30 | scf-bz2 | |
d | rwxr-xr-x | 30 | scf-guess-read | |
d | rwxr-xr-x | 30 | scf1 | |
d | rwxr-xr-x | 22 | scf11-freq-from-energies | |
d | rwxr-xr-x | 30 | scf2 | |
d | rwxr-xr-x | 22 | scf3 | |
d | rwxr-xr-x | 22 | scf4 | |
d | rwxr-xr-x | 22 | scf5 | |
d | rwxr-xr-x | 30 | scf6 | |
d | rwxr-xr-x | 22 | tu1-h2o-energy | |
d | rwxr-xr-x | 22 | tu2-ch2-energy | |
d | rwxr-xr-x | 30 | tu3-h2o-opt | |
d | rwxr-xr-x | 22 | tu4-h2o-freq | |
d | rwxr-xr-x | 22 | tu5-sapt | |
d | rwxr-xr-x | 30 | tu6-cp-ne2 | |
d | rwxr-xr-x | 22 | zaptn-nh2 | |
- | rw-r--r-- | 25,997 | SUMMARY | |
- | rw-r--r-- | 1,662 | example_psi4rc_file |