| -rwxr-xr-x | 3470 | root |
root |
/usr/bin/ccget
|
| -rwxr-xr-x | 1789 | root |
root |
/usr/bin/cda
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib
|
| -rw-r--r-- | 975 | root |
root |
/usr/lib/python2.7/site-packages/cclib-1.0-py2.7.egg-info
|
| -rw-r--r-- | 1556 | root |
root |
/usr/lib/python2.7/site-packages/cclib/ANNOUNCE
|
| -rw-r--r-- | 7115 | root |
root |
/usr/lib/python2.7/site-packages/cclib/CHANGELOG
|
| -rw-r--r-- | 2992 | root |
root |
/usr/lib/python2.7/site-packages/cclib/INSTALL
|
| -rw-r--r-- | 26436 | root |
root |
/usr/lib/python2.7/site-packages/cclib/LICENSE
|
| -rw-r--r-- | 339 | root |
root |
/usr/lib/python2.7/site-packages/cclib/README
|
| -rw-r--r-- | 660 | root |
root |
/usr/lib/python2.7/site-packages/cclib/THANKS
|
| -rw-r--r-- | 369 | root |
root |
/usr/lib/python2.7/site-packages/cclib/__init__.py
|
| -rw-r--r-- | 531 | root |
root |
/usr/lib/python2.7/site-packages/cclib/__init__.pyc
|
| -rw-r--r-- | 531 | root |
root |
/usr/lib/python2.7/site-packages/cclib/__init__.pyo
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test
|
| -rw-r--r-- | 476 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/__init__.py
|
| -rw-r--r-- | 727 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/__init__.pyc
|
| -rw-r--r-- | 727 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/__init__.pyo
|
| -rw-r--r-- | 1077 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2biopython.py
|
| -rw-r--r-- | 1475 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2biopython.pyc
|
| -rw-r--r-- | 1475 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2biopython.pyo
|
| -rw-r--r-- | 1213 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2openbabel.py
|
| -rw-r--r-- | 1564 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2openbabel.pyc
|
| -rw-r--r-- | 1564 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2openbabel.pyo
|
| -rw-r--r-- | 828 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2pyquante.py
|
| -rw-r--r-- | 1198 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2pyquante.pyc
|
| -rw-r--r-- | 1198 | root |
root |
/usr/lib/python2.7/site-packages/cclib/bridge/cclib2pyquante.pyo
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA
|
| -rw-r--r-- | 3102 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/regressionfiles.txt
|
| -rw-r--r-- | 100 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/wget.sh
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01
|
| -rw-r--r-- | 1588 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfin
|
| -rw-r--r-- | 416907 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfout
|
| -rw-r--r-- | 1226 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/NH3.adfin
|
| -rw-r--r-- | 84869 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/NH3.adfout
|
| -rw-r--r-- | 1018 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfin
|
| -rw-r--r-- | 323435 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfout
|
| -rw-r--r-- | 1070 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfin
|
| -rw-r--r-- | 327912 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfout
|
| -rw-r--r-- | 1091 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfin
|
| -rw-r--r-- | 1163884 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfout
|
| -rw-r--r-- | 1063 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfin
|
| -rw-r--r-- | 196745 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfout
|
| -rw-r--r-- | 1106 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfin
|
| -rw-r--r-- | 309085 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfout
|
| -rw-r--r-- | 1087 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfin
|
| -rw-r--r-- | 243012 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfout
|
| -rw-r--r-- | 1119 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfin
|
| -rw-r--r-- | 252999 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfout
|
| -rw-r--r-- | 1109 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfin
|
| -rw-r--r-- | 218120 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfout
|
| -rw-r--r-- | 1079 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfin
|
| -rw-r--r-- | 295387 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfout
|
| -rw-r--r-- | 1132 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfin
|
| -rw-r--r-- | 401672 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfout
|
| -rw-r--r-- | 113 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/metadata.txt
|
| -rw-r--r-- | 200 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfin
|
| -rw-r--r-- | 135063 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfout
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK
|
| -rw-r--r-- | 463 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.in
|
| -rw-r--r-- | 74652 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.out
|
| -rw-r--r-- | 992 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.in
|
| -rw-r--r-- | 238242 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.out
|
| -rw-r--r-- | 982 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.in
|
| -rw-r--r-- | 224848 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.out
|
| -rw-r--r-- | 999 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.in
|
| -rw-r--r-- | 576123 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.out
|
| -rw-r--r-- | 1003 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.in
|
| -rw-r--r-- | 1143219 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.out
|
| -rw-r--r-- | 1428 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.in
|
| -rw-r--r-- | 235842 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.out
|
| -rw-r--r-- | 1413 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.in
|
| -rw-r--r-- | 285306 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.out
|
| -rw-r--r-- | 1432 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.in
|
| -rw-r--r-- | 113743 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.out
|
| -rw-r--r-- | 1444 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.in
|
| -rw-r--r-- | 174899 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.out
|
| -rw-r--r-- | 1461 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.in
|
| -rw-r--r-- | 169919 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.out
|
| -rw-r--r-- | 1473 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.in
|
| -rw-r--r-- | 225887 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.out
|
| -rw-r--r-- | 882 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/metadata.txt
|
| -rw-r--r-- | 288 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.in
|
| -rw-r--r-- | 26070 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.out
|
| -rw-r--r-- | 288 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.in
|
| -rw-r--r-- | 26679 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.out
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS
|
| -rw-r--r-- | 223 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.inp
|
| -rw-r--r-- | 954106 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.out
|
| -rw-r--r-- | 6579 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.inp
|
| -rw-r--r-- | 336947 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.out
|
| -rw-r--r-- | 1422 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.inp
|
| -rw-r--r-- | 556669 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.out
|
| -rw-r--r-- | 1432 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.inp
|
| -rw-r--r-- | 506738 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.out
|
| -rw-r--r-- | 1431 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.inp
|
| -rw-r--r-- | 219103 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.out
|
| -rw-r--r-- | 1431 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td.inp
|
| -rw-r--r-- | 249353 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td.out
|
| -rw-r--r-- | 1427 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.inp
|
| -rw-r--r-- | 116752 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.out
|
| -rw-r--r-- | 1448 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.inp
|
| -rw-r--r-- | 867651 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.out
|
| -rw-r--r-- | 505 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/metadata.txt
|
| -rw-r--r-- | 389 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.inp
|
| -rw-r--r-- | 62545 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.out
|
| -rw-r--r-- | 199 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccd.inp
|
| -rw-r--r-- | 36507 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccd.out
|
| -rw-r--r-- | 203 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).inp
|
| -rw-r--r-- | 38168 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).out
|
| -rw-r--r-- | 200 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.inp
|
| -rw-r--r-- | 37471 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.out
|
| -rw-r--r-- | 237 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.inp
|
| -rw-r--r-- | 72332 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.out
|
| -rw-r--r-- | 216 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.inp
|
| -rw-r--r-- | 43820 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.out
|
| -rw-r--r-- | 216 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_mp2.inp
|
| -rw-r--r-- | 33133 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicGAMESS-US/water_mp2.out
|
| -rw-r--r-- | 333 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/CN_ir.in
|
| -rw-r--r-- | 36915 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/CN_ir.out
|
| -rw-r--r-- | 271 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.inp
|
| -rw-r--r-- | 59277 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.out
|
| -rw-r--r-- | 1452 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.inp
|
| -rw-r--r-- | 543803 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.out
|
| -rw-r--r-- | 1461 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.inp
|
| -rw-r--r-- | 5151401 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.out
|
| -rw-r--r-- | 1461 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.inp
|
| -rw-r--r-- | 329596 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.out
|
| -rw-r--r-- | 62190 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.inp
|
| -rw-r--r-- | 378157 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.out
|
| -rw-r--r-- | 1460 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.inp
|
| -rw-r--r-- | 219018 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.out
|
| -rw-r--r-- | 1471 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td.inp
|
| -rw-r--r-- | 146541 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td.out
|
| -rw-r--r-- | 1478 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.inp
|
| -rw-r--r-- | 146504 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.out
|
| -rw-r--r-- | 1478 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.inp
|
| -rw-r--r-- | 877340 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.out
|
| -rw-r--r-- | 450 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/metadata.txt
|
| -rw-r--r-- | 191 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp2.inp
|
| -rw-r--r-- | 21224 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp2.out
|
| -rw-r--r-- | 191 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp3.inp
|
| -rw-r--r-- | 23892 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp3.out
|
| -rw-r--r-- | 191 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4.inp
|
| -rw-r--r-- | 24768 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4.out
|
| -rw-r--r-- | 214 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.inp
|
| -rw-r--r-- | 25649 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.out
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09
|
| -rw-r--r-- | 199 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.gjf
|
| -rw-r--r-- | 73202 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.log
|
| -rw-r--r-- | 97 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/C_bigbasis.gjf
|
| -rw-r--r-- | 579428 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/C_bigbasis.out
|
| -rw-r--r-- | 447 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.com
|
| -rw-r--r-- | 230990 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.log
|
| -rw-r--r-- | 3422 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_gopt.gjf
|
| -rw-r--r-- | 202298 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_gopt.out
|
| -rw-r--r-- | 88 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_ir.gjf
|
| -rw-r--r-- | 130542 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_ir.out
|
| -rw-r--r-- | 1328 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_raman.gjf
|
| -rw-r--r-- | 219018 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_raman.out
|
| -rw-r--r-- | 110 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp.gjf
|
| -rw-r--r-- | 357550 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp.out
|
| -rw-r--r-- | 1244 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis.gjf
|
| -rw-r--r-- | 41922 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis.log
|
| -rw-r--r-- | 1244 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.gjf
|
| -rw-r--r-- | 44264 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.log
|
| -rw-r--r-- | 107 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_td.gjf
|
| -rw-r--r-- | 45650 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_td.out
|
| -rw-r--r-- | 1352 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.gjf
|
| -rw-r--r-- | 454271 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.out
|
| -rw-r--r-- | 1265 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.gjf
|
| -rw-r--r-- | 465611 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.log
|
| -rw-r--r-- | 549 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/metadata.txt
|
| -rw-r--r-- | 65 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_ccd.com
|
| -rw-r--r-- | 22609 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_ccd.log
|
| -rw-r--r-- | 69 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).com
|
| -rw-r--r-- | 21906 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).log
|
| -rw-r--r-- | 66 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_ccsd.com
|
| -rw-r--r-- | 21589 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_ccsd.log
|
| -rw-r--r-- | 117 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_cis.com
|
| -rw-r--r-- | 31871 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_cis.log
|
| -rw-r--r-- | 84 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_cisd.com
|
| -rw-r--r-- | 36468 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_cisd.log
|
| -rw-r--r-- | 100 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp2.com
|
| -rw-r--r-- | 23902 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp2.log
|
| -rw-r--r-- | 100 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp3.com
|
| -rw-r--r-- | 24655 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp3.log
|
| -rw-r--r-- | 74 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp4.com
|
| -rw-r--r-- | 23220 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp4.log
|
| -rw-r--r-- | 105 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.com
|
| -rw-r--r-- | 25362 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.log
|
| -rw-r--r-- | 74 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp5.com
|
| -rw-r--r-- | 28222 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian03/water_mp5.log
|
| -rw-r--r-- | 3422 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_gopt.gjf
|
| -rw-r--r-- | 206453 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_gopt.log
|
| -rw-r--r-- | 88 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_ir.gjf
|
| -rw-r--r-- | 129136 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_ir.log
|
| -rw-r--r-- | 1334 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_raman.gjf
|
| -rw-r--r-- | 145018 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_raman.log
|
| -rw-r--r-- | 110 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp.gjf
|
| -rw-r--r-- | 367972 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp.log
|
| -rw-r--r-- | 1251 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis.gjf
|
| -rw-r--r-- | 46489 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis.log
|
| -rw-r--r-- | 1253 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis_b.gjf
|
| -rw-r--r-- | 48996 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis_b.log
|
| -rw-r--r-- | 105 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_td.gjf
|
| -rw-r--r-- | 47072 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_td.log
|
| -rw-r--r-- | 1355 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_un_sp.gjf
|
| -rw-r--r-- | 474147 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_un_sp.log
|
| -rw-r--r-- | 1271 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_un_sp_b.gjf
|
| -rw-r--r-- | 491607 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Gaussian/basicGaussian09/dvb_un_sp_b.log
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0
|
| -rw-r--r-- | 1276 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.in
|
| -rw-r--r-- | 22290 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.out
|
| -rw-r--r-- | 959 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.in
|
| -rw-r--r-- | 57739 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.out
|
| -rw-r--r-- | 84231 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.in
|
| -rw-r--r-- | 677381 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.out
|
| -rw-r--r-- | 84221 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.in
|
| -rw-r--r-- | 1211379 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.out
|
| -rw-r--r-- | 84229 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.in
|
| -rw-r--r-- | 1236922 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.out
|
| -rw-r--r-- | 84252 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.in
|
| -rw-r--r-- | 64308 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.out
|
| -rw-r--r-- | 112 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/water_cis.in
|
| -rw-r--r-- | 7426 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/water_cis.out
|
| -rw-r--r-- | 102 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.in
|
| -rw-r--r-- | 6341 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.out
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006
|
| -rw-r--r-- | 156 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/C_bigbasis.com
|
| -rw-r--r-- | 178258 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/C_bigbasis.out
|
| -rw-r--r-- | 1355 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_gopt.com
|
| -rw-r--r-- | 158931 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_gopt.log
|
| -rw-r--r-- | 125575 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_gopt.out
|
| -rw-r--r-- | 1368 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_ir.com
|
| -rw-r--r-- | 621914 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_ir.log
|
| -rw-r--r-- | 213898 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_ir.out
|
| -rw-r--r-- | 1306 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_sphf.com
|
| -rw-r--r-- | 121456 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_sphf.out
|
| -rw-r--r-- | 1331 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.com
|
| -rw-r--r-- | 265461 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.out
|
| -rw-r--r-- | 1311 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_spks.com
|
| -rw-r--r-- | 111434 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/dvb_spks.out
|
| -rw-r--r-- | 313 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_ccd.com
|
| -rw-r--r-- | 14523 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_ccd.out
|
| -rw-r--r-- | 310 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).com
|
| -rw-r--r-- | 15223 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).out
|
| -rw-r--r-- | 297 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.com
|
| -rw-r--r-- | 14819 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.out
|
| -rw-r--r-- | 325 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_mp2.com
|
| -rw-r--r-- | 12891 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_mp2.out
|
| -rw-r--r-- | 324 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_mp3.com
|
| -rw-r--r-- | 13446 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_mp3.out
|
| -rw-r--r-- | 325 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_mp4.com
|
| -rw-r--r-- | 13804 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/h2o_mp4.out
|
| -rw-r--r-- | 724 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/Molpro/basicMolpro2006/metadata.txt
|
| drwxr-xr-x | 4096 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6
|
| -rw-r--r-- | 973 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_gopt.inp
|
| -rw-r--r-- | 234759 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_gopt.out
|
| -rw-r--r-- | 1017 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_ir.inp
|
| -rw-r--r-- | 100226 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_ir.out
|
| -rw-r--r-- | 1038 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_raman.inp
|
| -rw-r--r-- | 287611 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_raman.out
|
| -rw-r--r-- | 1048 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_sp.inp
|
| -rw-r--r-- | 358193 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_sp.out
|
| -rw-r--r-- | 1073 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_td.inp
|
| -rw-r--r-- | 151076 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_td.out
|
| -rw-r--r-- | 1048 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.inp
|
| -rw-r--r-- | 530605 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.out
|
| -rw-r--r-- | 214 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/water_mp2.inp
|
| -rw-r--r-- | 22428 | root |
root |
/usr/lib/python2.7/site-packages/cclib/data/ORCA/basicORCA2.6/water_mp2.out
|
| -rw-r--r-- | 370 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/__init__.py
|
| -rw-r--r-- | 737 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/__init__.pyc
|
| -rw-r--r-- | 737 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/__init__.pyo
|
| -rw-r--r-- | 1296 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/calculationmethod.py
|
| -rw-r--r-- | 1729 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/calculationmethod.pyc
|
| -rw-r--r-- | 1729 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/calculationmethod.pyo
|
| -rw-r--r-- | 4328 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/cda.py
|
| -rw-r--r-- | 3618 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/cda.pyc
|
| -rw-r--r-- | 3618 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/cda.pyo
|
| -rw-r--r-- | 3680 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/cspa.py
|
| -rw-r--r-- | 3595 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/cspa.pyc
|
| -rw-r--r-- | 3595 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/cspa.pyo
|
| -rw-r--r-- | 2931 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/density.py
|
| -rw-r--r-- | 2900 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/density.pyc
|
| -rw-r--r-- | 2900 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/density.pyo
|
| -rw-r--r-- | 5107 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/fragments.py
|
| -rw-r--r-- | 4329 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/fragments.pyc
|
| -rw-r--r-- | 4329 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/fragments.pyo
|
| -rw-r--r-- | 4624 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/lpa.py
|
| -rw-r--r-- | 4165 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/lpa.pyc
|
| -rw-r--r-- | 4165 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/lpa.pyo
|
| -rw-r--r-- | 4045 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/mbo.py
|
| -rw-r--r-- | 3444 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/mbo.pyc
|
| -rw-r--r-- | 3444 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/mbo.pyo
|
| -rw-r--r-- | 4051 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/mpa.py
|
| -rw-r--r-- | 3575 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/mpa.pyc
|
| -rw-r--r-- | 3575 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/mpa.pyo
|
| -rw-r--r-- | 4686 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/opa.py
|
| -rw-r--r-- | 4141 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/opa.pyc
|
| -rw-r--r-- | 4141 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/opa.pyo
|
| -rw-r--r-- | 2902 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/population.py
|
| -rw-r--r-- | 2973 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/population.pyc
|
| -rw-r--r-- | 2973 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/population.pyo
|
| -rw-r--r-- | 9507 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/volume.py
|
| -rw-r--r-- | 10761 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/volume.pyc
|
| -rw-r--r-- | 10585 | root |
root |
/usr/lib/python2.7/site-packages/cclib/method/volume.pyo
|
| -rw-r--r-- | 720 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/__init__.py
|
| -rw-r--r-- | 785 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/__init__.pyc
|
| -rw-r--r-- | 785 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/__init__.pyo
|
| -rw-r--r-- | 36899 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/adfparser.py
|
| -rw-r--r-- | 18348 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/adfparser.pyc
|
| -rw-r--r-- | 18348 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/adfparser.pyo
|
| -rw-r--r-- | 2945 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/ccopen.py
|
| -rw-r--r-- | 2412 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/ccopen.pyc
|
| -rw-r--r-- | 2412 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/ccopen.pyo
|
| -rw-r--r-- | 9147 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/data.py
|
| -rw-r--r-- | 7503 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/data.pyc
|
| -rw-r--r-- | 7503 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/data.pyo
|
| -rw-r--r-- | 44075 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gamessparser.py
|
| -rw-r--r-- | 17471 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gamessparser.pyc
|
| -rw-r--r-- | 17268 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gamessparser.pyo
|
| -rw-r--r-- | 23214 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gamessukparser.py
|
| -rw-r--r-- | 12835 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gamessukparser.pyc
|
| -rw-r--r-- | 12502 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gamessukparser.pyo
|
| -rw-r--r-- | 41647 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gaussianparser.py
|
| -rw-r--r-- | 17773 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gaussianparser.pyc
|
| -rw-r--r-- | 17577 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/gaussianparser.pyo
|
| -rw-r--r-- | 20024 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/jaguarparser.py
|
| -rw-r--r-- | 10726 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/jaguarparser.pyc
|
| -rw-r--r-- | 10726 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/jaguarparser.pyo
|
| -rw-r--r-- | 11017 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/logfileparser.py
|
| -rw-r--r-- | 7949 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/logfileparser.pyc
|
| -rw-r--r-- | 7775 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/logfileparser.pyo
|
| -rw-r--r-- | 30582 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/molproparser.py
|
| -rw-r--r-- | 12984 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/molproparser.pyc
|
| -rw-r--r-- | 12900 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/molproparser.pyo
|
| -rw-r--r-- | 15249 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/orcaparser.py
|
| -rw-r--r-- | 10024 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/orcaparser.pyc
|
| -rw-r--r-- | 9615 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/orcaparser.pyo
|
| -rw-r--r-- | 2404 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/utils.py
|
| -rw-r--r-- | 4140 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/utils.pyc
|
| -rw-r--r-- | 4140 | root |
root |
/usr/lib/python2.7/site-packages/cclib/parser/utils.pyo
|
| -rw-r--r-- | 376 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/__init__.py
|
| -rw-r--r-- | 650 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/__init__.pyc
|
| -rw-r--r-- | 650 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/__init__.pyo
|
| -rw-r--r-- | 996 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/qt4progress.py
|
| -rw-r--r-- | 1738 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/qt4progress.pyc
|
| -rw-r--r-- | 1738 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/qt4progress.pyo
|
| -rw-r--r-- | 881 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/qtprogress.py
|
| -rw-r--r-- | 1563 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/qtprogress.pyc
|
| -rw-r--r-- | 1563 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/qtprogress.pyo
|
| -rw-r--r-- | 1256 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/textprogress.py
|
| -rw-r--r-- | 1782 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/textprogress.pyc
|
| -rw-r--r-- | 1782 | root |
root |
/usr/lib/python2.7/site-packages/cclib/progress/textprogress.pyo
|
| -rw-r--r-- | 2686 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/bettertest.py
|
| -rw-r--r-- | 2734 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/bettertest.pyc
|
| -rw-r--r-- | 2734 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/bettertest.pyo
|
| -rw-r--r-- | 828 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/methods.py
|
| -rw-r--r-- | 1108 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/methods.pyc
|
| -rw-r--r-- | 1108 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/methods.pyo
|
| -rw-r--r-- | 3079 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testBasis.py
|
| -rw-r--r-- | 5238 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testBasis.pyc
|
| -rw-r--r-- | 5238 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testBasis.pyo
|
| -rw-r--r-- | 1707 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCC.py
|
| -rw-r--r-- | 4259 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCC.pyc
|
| -rw-r--r-- | 4259 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCC.pyo
|
| -rw-r--r-- | 5465 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCI.py
|
| -rw-r--r-- | 6231 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCI.pyc
|
| -rw-r--r-- | 6231 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCI.pyo
|
| -rw-r--r-- | 1120 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCore.py
|
| -rw-r--r-- | 2378 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCore.pyc
|
| -rw-r--r-- | 2378 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testCore.pyo
|
| -rw-r--r-- | 8942 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testGeoOpt.py
|
| -rw-r--r-- | 12797 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testGeoOpt.pyc
|
| -rw-r--r-- | 12797 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testGeoOpt.pyo
|
| -rw-r--r-- | 4241 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testMP.py
|
| -rw-r--r-- | 8852 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testMP.pyc
|
| -rw-r--r-- | 8852 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testMP.pyo
|
| -rw-r--r-- | 7425 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testSP.py
|
| -rw-r--r-- | 10877 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testSP.pyc
|
| -rw-r--r-- | 10877 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testSP.pyo
|
| -rw-r--r-- | 4766 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testSPun.py
|
| -rw-r--r-- | 7434 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testSPun.pyc
|
| -rw-r--r-- | 7434 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testSPun.pyo
|
| -rw-r--r-- | 3847 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testTD.py
|
| -rw-r--r-- | 6675 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testTD.pyc
|
| -rw-r--r-- | 6675 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testTD.pyo
|
| -rw-r--r-- | 1447 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testTDun.py
|
| -rw-r--r-- | 2733 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testTDun.pyc
|
| -rw-r--r-- | 2733 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testTDun.pyo
|
| -rw-r--r-- | 6369 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testall.py
|
| -rw-r--r-- | 6155 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testall.pyc
|
| -rw-r--r-- | 6155 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testall.pyo
|
| -rw-r--r-- | 1954 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testcda.py
|
| -rw-r--r-- | 2687 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testcda.pyc
|
| -rw-r--r-- | 2687 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testcda.pyo
|
| -rw-r--r-- | 7272 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testdata
|
| -rw-r--r-- | 2351 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testpopulation.py
|
| -rw-r--r-- | 3760 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testpopulation.pyc
|
| -rw-r--r-- | 3760 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testpopulation.pyo
|
| -rw-r--r-- | 3579 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testvib.py
|
| -rw-r--r-- | 6906 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testvib.pyc
|
| -rw-r--r-- | 6906 | root |
root |
/usr/lib/python2.7/site-packages/cclib/test/testvib.pyo
|
| drwxr-xr-x | 4096 | root |
root |
/usr/share/doc/python-cclib-1.0
|
| -rw-r--r-- | 1556 | root |
root |
/usr/share/doc/python-cclib-1.0/ANNOUNCE
|
| -rw-r--r-- | 7115 | root |
root |
/usr/share/doc/python-cclib-1.0/CHANGELOG
|
| -rw-r--r-- | 26436 | root |
root |
/usr/share/doc/python-cclib-1.0/LICENSE
|
| -rw-r--r-- | 975 | root |
root |
/usr/share/doc/python-cclib-1.0/PKG-INFO
|
| -rw-r--r-- | 339 | root |
root |
/usr/share/doc/python-cclib-1.0/README
|
| -rw-r--r-- | 660 | root |
root |
/usr/share/doc/python-cclib-1.0/THANKS
|
