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psi4 4.0~beta5%2Bdfsg-2
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 203,672 kB
  • ctags: 33,273
  • sloc: cpp: 456,535; python: 117,796; ansic: 9,468; perl: 4,100; xml: 3,353; makefile: 2,928; sh: 2,847; yacc: 55

Folder: samples

d .. (parent)
d d rwxr-xr-x 30 adc1
d d rwxr-xr-x 22 adc2
d d rwxr-xr-x 30 castup1
d d rwxr-xr-x 22 castup2
d d rwxr-xr-x 30 castup3
d d rwxr-xr-x 30 cc1
d d rwxr-xr-x 22 cc10
d d rwxr-xr-x 22 cc11
d d rwxr-xr-x 30 cc12
d d rwxr-xr-x 30 cc13
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d d rwxr-xr-x 30 cc8c
d d rwxr-xr-x 30 cc9
d d rwxr-xr-x 22 cc9a
d d rwxr-xr-x 22 cepa0-grad1
d d rwxr-xr-x 22 cepa0-grad2
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d d rwxr-xr-x 22 cepa2
d d rwxr-xr-x 30 cepa3
d d rwxr-xr-x 22 ci-multi
d d rwxr-xr-x 30 cisd-h2o+-0
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d d rwxr-xr-x 30 dcft7
d d rwxr-xr-x 22 dfmp2-1
d d rwxr-xr-x 22 dfmp2-2
d d rwxr-xr-x 30 dfmp2-3
d d rwxr-xr-x 30 dfmp2-4
d d rwxr-xr-x 22 dfscf-bz2
d d rwxr-xr-x 22 dft-b2plyp
d d rwxr-xr-x 30 dft-dldf
d d rwxr-xr-x 22 dft-freq
d d rwxr-xr-x 22 dft-grad
d d rwxr-xr-x 22 dft-pbe0-2
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d d rwxr-xr-x 22 dft3
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d d rwxr-xr-x 30 dftd3-grad
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d d rwxr-xr-x 30 fci-h2o
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d d rwxr-xr-x 22 fci-h2o-fzcv
d d rwxr-xr-x 30 fci-tdm
d d rwxr-xr-x 22 fci-tdm-2
d d rwxr-xr-x 22 fd-freq-energy
d d rwxr-xr-x 30 fd-freq-energy-large
d d rwxr-xr-x 30 fd-freq-gradient
d d rwxr-xr-x 22 fd-freq-gradient-large
d d rwxr-xr-x 30 fd-gradient
d d rwxr-xr-x 30 fnocc1
d d rwxr-xr-x 30 fnocc2
d d rwxr-xr-x 22 fnocc3
d d rwxr-xr-x 30 fnocc4
d d rwxr-xr-x 22 frac
d d rwxr-xr-x 30 ghosts
d d rwxr-xr-x 30 gibbs
d d rwxr-xr-x 22 matrix1
d d rwxr-xr-x 22 mcscf1
d d rwxr-xr-x 30 mcscf2
d d rwxr-xr-x 22 mcscf3
d d rwxr-xr-x 30 min_input
d d rwxr-xr-x 22 mints1
d d rwxr-xr-x 30 mints2
d d rwxr-xr-x 30 mints3
d d rwxr-xr-x 30 mints4
d d rwxr-xr-x 22 mints5
d d rwxr-xr-x 30 mints6
d d rwxr-xr-x 22 mints8
d d rwxr-xr-x 30 mom
d d rwxr-xr-x 30 mp2-1
d d rwxr-xr-x 22 mp2-grad1
d d rwxr-xr-x 30 mp2-grad2
d d rwxr-xr-x 30 mp2_5-grad1
d d rwxr-xr-x 22 mp2_5-grad2
d d rwxr-xr-x 30 mp3-grad1
d d rwxr-xr-x 22 mp3-grad2
d d rwxr-xr-x 22 mpn-bh
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d d rwxr-xr-x 30 mrcc4
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d d rwxr-xr-x 22 ocepa3
d d rwxr-xr-x 30 omp2-1
d d rwxr-xr-x 22 omp2-2
d d rwxr-xr-x 22 omp2-3
d d rwxr-xr-x 30 omp2-4
d d rwxr-xr-x 22 omp2-5
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d d rwxr-xr-x 30 omp2-grad2
d d rwxr-xr-x 22 omp2_5-1
d d rwxr-xr-x 22 omp2_5-2
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d d rwxr-xr-x 30 omp2_5-grad2
d d rwxr-xr-x 30 omp3-1
d d rwxr-xr-x 22 omp3-2
d d rwxr-xr-x 22 omp3-3
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d d rwxr-xr-x 30 omp3-5
d d rwxr-xr-x 30 omp3-grad1
d d rwxr-xr-x 22 omp3-grad2
d d rwxr-xr-x 30 opt1
d d rwxr-xr-x 30 opt1-fd
d d rwxr-xr-x 30 opt2
d d rwxr-xr-x 30 opt2-fd
d d rwxr-xr-x 22 opt3
d d rwxr-xr-x 30 opt4
d d rwxr-xr-x 30 opt5
d d rwxr-xr-x 22 opt6
d d rwxr-xr-x 30 opt7
d d rwxr-xr-x 30 props1
d d rwxr-xr-x 22 props2
d d rwxr-xr-x 22 props3
d d rwxr-xr-x 22 psimrcc-ccsd_t-1
d d rwxr-xr-x 22 psimrcc-ccsd_t-2
d d rwxr-xr-x 30 psimrcc-ccsd_t-3
d d rwxr-xr-x 30 psimrcc-ccsd_t-4
d d rwxr-xr-x 22 psimrcc-fd-freq1
d d rwxr-xr-x 30 psimrcc-fd-freq2
d d rwxr-xr-x 30 psimrcc-pt2
d d rwxr-xr-x 30 psimrcc-sp1
d d rwxr-xr-x 22 psithon1
d d rwxr-xr-x 30 pubchem1
d d rwxr-xr-x 30 pywrap-alias
d d rwxr-xr-x 22 pywrap-all
d d rwxr-xr-x 30 pywrap-basis
d d rwxr-xr-x 22 pywrap-cbs1
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d d rwxr-xr-x 22 pywrap-checkrun-rhf
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d d rwxr-xr-x 22 pywrap-checkrun-uhf
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d d rwxr-xr-x 22 rasci-h2o
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d d rwxr-xr-x 22 sapt5
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d d rwxr-xr-x 30 scf1
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d d rwxr-xr-x 30 scf6
d d rwxr-xr-x 22 tu1-h2o-energy
d d rwxr-xr-x 22 tu2-ch2-energy
d d rwxr-xr-x 30 tu3-h2o-opt
d d rwxr-xr-x 22 tu4-h2o-freq
d d rwxr-xr-x 22 tu5-sapt
d d rwxr-xr-x 30 tu6-cp-ne2
d d rwxr-xr-x 22 zaptn-nh2
- - rw-r--r-- 25,997 SUMMARY
- - rw-r--r-- 1,662 example_psi4rc_file