/usr/share/psi/samples/adc1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/adc2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/casscf-fzc-sp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/casscf-sa-sp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/casscf-sp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/castup1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/castup2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/castup3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc10/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc11/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc12/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc13/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc13a/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc14/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc15/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc16/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc17/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc18/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc19/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc21/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc22/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc23/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc24/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc25/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc26/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc27/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc28/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc29/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc30/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc31/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc32/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc33/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc34/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc35/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc36/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc37/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc38/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc39/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc40/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc41/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc42/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc43/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc44/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc45/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc46/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc47/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc48/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc49/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc4a/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc50/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc51/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc52/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc53/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc54/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc55/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc5a/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc6/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc8/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc8a/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc8b/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc8c/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc9/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cc9a/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cdomp2-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cdomp2-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cepa0-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cepa0-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cepa1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cepa2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cepa3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cfour/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ci-multi/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-h2o+-0/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-h2o+-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-h2o+-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-h2o-clpse/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-opt-fd/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-sp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cisd-sp-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/cubeprop/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft6/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft7/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft8/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dcft9/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfccd-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfccd1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfccdl1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfccsd-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfccsd1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfccsdl1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-grad3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfmp2-grad4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfomp2-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfomp2-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfomp2-3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfomp2-4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfomp2-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfomp2-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dfscf-bz2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft-b2plyp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft-dldf/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft-freq/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft-grad/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft-pbe0-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft-psivar/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft1-alt/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dft3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/dftd3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fci-dipole/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fci-h2o/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fci-h2o-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fci-h2o-fzcv/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fci-tdm/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fci-tdm-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fd-freq-energy/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fd-freq-energy-large/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fd-freq-gradient/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fd-freq-gradient-large/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fd-gradient/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fnocc1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fnocc2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fnocc3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/fnocc4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/frac/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ghosts/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/gibbs/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/large_atoms/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/libefp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/matrix1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mcscf1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mcscf2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mcscf3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/min_input/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints6/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints8/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mints9/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mom/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp2-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp2-def2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp2-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp2-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp2_5-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp2_5-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp3-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mp3-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mpn-bh/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/mrcc/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ocepa-freq1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ocepa-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ocepa-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ocepa1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ocepa2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/ocepa3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2_5-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2_5-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2_5-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp2_5-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-grad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/omp3-grad2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt1-fd/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt2-fd/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt6/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/opt7/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pcm_dft/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pcm_scf/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/props1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/props2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/props3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-ccsd_t-1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-ccsd_t-2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-ccsd_t-3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-ccsd_t-4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-fd-freq1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-fd-freq2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-pt2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psimrcc-sp1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psithon1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/psithon2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pubchem1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pubchem2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-alias/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-all/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-basis/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-cbs1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-checkrun-convcrit/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-checkrun-rhf/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-checkrun-rohf/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-checkrun-uhf/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-db1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-db2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-db3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-freq-e-sowreap/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-molecule/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/pywrap-opt-sowreap/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/rasci-c2-active/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/rasci-h2o/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/rasci-ne/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/rasscf-sp/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/sad1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/sapt1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/sapt2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/sapt3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/sapt4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/sapt5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf-bs/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf-bz2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf-guess-read/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf11-freq-from-energies/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf4/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf5/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/scf6/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/soscf1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/stability1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/tu1-h2o-energy/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/tu2-ch2-energy/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/tu3-h2o-opt/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/tu4-h2o-freq/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/tu5-sapt/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/tu6-cp-ne2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/x2c1/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/x2c2/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/x2c3/
|
|
root:root
|
0o755
|
|
/usr/share/psi/samples/zaptn-nh2/
|
|
root:root
|
0o755
|
|