| -rwxr-xr-x | 59596 | root |
root |
/usr/bin/bin2m
|
| -rwxr-xr-x | 2602992 | root |
root |
/usr/bin/ergo
|
| drwxr-xr-x | 4096 | root |
root |
/usr/share/ergo
|
| drwxr-xr-x | 4096 | root |
root |
/usr/share/doc/ergo-3.2.1
|
| -rw-r--r-- | 35147 | root |
root |
/usr/share/doc/ergo-3.2.1/COPYING
|
| -rw-r--r-- | 1550 | root |
root |
/usr/share/doc/ergo-3.2.1/ChangeLog
|
| -rw-r--r-- | 1705 | root |
root |
/usr/share/doc/ergo-3.2.1/README
|
| -rw-r--r-- | 1128 | root |
root |
/usr/share/doc/ergo-3.2.1/ergo_license_long.txt
|
| -rw-r--r-- | 1109 | root |
root |
/usr/share/doc/ergo-3.2.1/ergo_release_notes_3_1.txt
|
| -rw-r--r-- | 301 | root |
root |
/usr/share/doc/ergo-3.2.1/ergo_release_notes_3_2.txt
|
| -rw-r--r-- | 291 | root |
root |
/usr/share/doc/ergo-3.2.1/ergo_release_notes_3_2_1.txt
|
| drwxr-xr-x | 4096 | root |
root |
/usr/share/ergo/basis
|
| -rw-r--r-- | 20109 | root |
root |
/usr/share/ergo/basis/3-21++G
|
| -rw-r--r-- | 94023 | root |
root |
/usr/share/ergo/basis/3-21G
|
| -rw-r--r-- | 10810 | root |
root |
/usr/share/ergo/basis/4-31G
|
| -rw-r--r-- | 28980 | root |
root |
/usr/share/ergo/basis/6-31++G
|
| -rw-r--r-- | 31057 | root |
root |
/usr/share/ergo/basis/6-31++Gs
|
| -rw-r--r-- | 31180 | root |
root |
/usr/share/ergo/basis/6-31++Gss
|
| -rw-r--r-- | 28837 | root |
root |
/usr/share/ergo/basis/6-31+G
|
| -rw-r--r-- | 15287 | root |
root |
/usr/share/ergo/basis/6-311++Gss
|
| -rw-r--r-- | 32912 | root |
root |
/usr/share/ergo/basis/6-311G
|
| -rw-r--r-- | 29950 | root |
root |
/usr/share/ergo/basis/6-31G
|
| -rw-r--r-- | 29912 | root |
root |
/usr/share/ergo/basis/6-31Gfixed
|
| -rw-r--r-- | 46244 | root |
root |
/usr/share/ergo/basis/6-31Gs
|
| -rw-r--r-- | 35511 | root |
root |
/usr/share/ergo/basis/6-31Gss
|
| -rw-r--r-- | 121897 | root |
root |
/usr/share/ergo/basis/Ahlrichs-Coulomb-Fit
|
| -rw-r--r-- | 70764 | root |
root |
/usr/share/ergo/basis/Ahlrichs-TZV
|
| -rw-r--r-- | 43541 | root |
root |
/usr/share/ergo/basis/Ahlrichs-VDZ
|
| -rw-r--r-- | 57049 | root |
root |
/usr/share/ergo/basis/Ahlrichs-VTZ
|
| -rw-r--r-- | 55415 | root |
root |
/usr/share/ergo/basis/Ahlrichs-pVDZ
|
| -rw-r--r-- | 19880 | root |
root |
/usr/share/ergo/basis/AhlrichsDenFit
|
| -rw-r--r-- | 43535 | root |
root |
/usr/share/ergo/basis/AhlrichsVDZ
|
| -rw-r--r-- | 56797 | root |
root |
/usr/share/ergo/basis/AhlrichsVTZ
|
| -rw-r--r-- | 19464 | root |
root |
/usr/share/ergo/basis/Almlof-Taylor-ANO
|
| -rw-r--r-- | 14695 | root |
root |
/usr/share/ergo/basis/DunningDZ
|
| -rw-r--r-- | 9940 | root |
root |
/usr/share/ergo/basis/DunningTZ
|
| -rw-r--r-- | 52056 | root |
root |
/usr/share/ergo/basis/ECP
|
| -rw-r--r-- | 65122 | root |
root |
/usr/share/ergo/basis/ECP_pseudo
|
| -rw-r--r-- | 10807 | root |
root |
/usr/share/ergo/basis/GAMESS-PVTZ
|
| -rw-r--r-- | 25851 | root |
root |
/usr/share/ergo/basis/GAMESS-VTZ
|
| -rw-r--r-- | 65837 | root |
root |
/usr/share/ergo/basis/Huckel
|
| -rw-r--r-- | 9390 | root |
root |
/usr/share/ergo/basis/Huz-II
|
| -rw-r--r-- | 14157 | root |
root |
/usr/share/ergo/basis/Huz-III
|
| -rw-r--r-- | 25724 | root |
root |
/usr/share/ergo/basis/Huz-IIIsu3
|
| -rw-r--r-- | 16427 | root |
root |
/usr/share/ergo/basis/Huz-IIsu2
|
| -rw-r--r-- | 16623 | root |
root |
/usr/share/ergo/basis/Huz-IV
|
| -rw-r--r-- | 32067 | root |
root |
/usr/share/ergo/basis/Huz-IVsu4
|
| -rw-r--r-- | 4058 | root |
root |
/usr/share/ergo/basis/MIDI
|
| -rw-r--r-- | 16076 | root |
root |
/usr/share/ergo/basis/McLean-Chandler-VTZ
|
| -rw-r--r-- | 36051 | root |
root |
/usr/share/ergo/basis/NASA-Ames-ANO
|
| -rw-r--r-- | 64107 | root |
root |
/usr/share/ergo/basis/NQvD
|
| -rw-r--r-- | 17443 | root |
root |
/usr/share/ergo/basis/RoosAugDZANO
|
| -rw-r--r-- | 4553 | root |
root |
/usr/share/ergo/basis/STO-1G
|
| -rw-r--r-- | 11924 | root |
root |
/usr/share/ergo/basis/STO-2G
|
| -rw-r--r-- | 66108 | root |
root |
/usr/share/ergo/basis/STO-3G
|
| -rw-r--r-- | 53191 | root |
root |
/usr/share/ergo/basis/STO-6G
|
| -rw-r--r-- | 74338 | root |
root |
/usr/share/ergo/basis/Sadlej-pVTZ
|
| -rw-r--r-- | 14236 | root |
root |
/usr/share/ergo/basis/Sadlej-pVTZ-J
|
| -rw-r--r-- | 69273 | root |
root |
/usr/share/ergo/basis/Turbomole-DZ
|
| -rw-r--r-- | 74754 | root |
root |
/usr/share/ergo/basis/Turbomole-DZP
|
| -rw-r--r-- | 158519 | root |
root |
/usr/share/ergo/basis/Turbomole-QZV
|
| -rw-r--r-- | 172880 | root |
root |
/usr/share/ergo/basis/Turbomole-QZVP
|
| -rw-r--r-- | 176256 | root |
root |
/usr/share/ergo/basis/Turbomole-QZVPP
|
| -rw-r--r-- | 48123 | root |
root |
/usr/share/ergo/basis/Turbomole-SV
|
| -rw-r--r-- | 55447 | root |
root |
/usr/share/ergo/basis/Turbomole-SVP
|
| -rw-r--r-- | 26673 | root |
root |
/usr/share/ergo/basis/Turbomole-TZ
|
| -rw-r--r-- | 28606 | root |
root |
/usr/share/ergo/basis/Turbomole-TZP
|
| -rw-r--r-- | 71440 | root |
root |
/usr/share/ergo/basis/Turbomole-TZV
|
| -rw-r--r-- | 76951 | root |
root |
/usr/share/ergo/basis/Turbomole-TZVP
|
| -rw-r--r-- | 81335 | root |
root |
/usr/share/ergo/basis/Turbomole-TZVPP
|
| -rw-r--r-- | 24990 | root |
root |
/usr/share/ergo/basis/Turbomole-TZVPPP
|
| -rw-r--r-- | 30061 | root |
root |
/usr/share/ergo/basis/Wachtersa+f
|
| -rw-r--r-- | 39634 | root |
root |
/usr/share/ergo/basis/ano-1
|
| -rw-r--r-- | 36740 | root |
root |
/usr/share/ergo/basis/ano-2
|
| -rw-r--r-- | 68919 | root |
root |
/usr/share/ergo/basis/ano-3
|
| -rw-r--r-- | 108711 | root |
root |
/usr/share/ergo/basis/ano-4
|
| -rw-r--r-- | 456735 | root |
root |
/usr/share/ergo/basis/ano-5
|
| -rw-r--r-- | 39681 | root |
root |
/usr/share/ergo/basis/aug-cc-pCV5Z
|
| -rw-r--r-- | 25568 | root |
root |
/usr/share/ergo/basis/aug-cc-pCVDZ
|
| -rw-r--r-- | 69048 | root |
root |
/usr/share/ergo/basis/aug-cc-pCVQZ
|
| -rw-r--r-- | 44986 | root |
root |
/usr/share/ergo/basis/aug-cc-pCVTZ
|
| -rw-r--r-- | 14575 | root |
root |
/usr/share/ergo/basis/aug-cc-pCVTZ-CTOCD-uc
|
| -rw-r--r-- | 102429 | root |
root |
/usr/share/ergo/basis/aug-cc-pV5Z
|
| -rw-r--r-- | 74924 | root |
root |
/usr/share/ergo/basis/aug-cc-pV6Z
|
| -rw-r--r-- | 38376 | root |
root |
/usr/share/ergo/basis/aug-cc-pVDZ
|
| -rw-r--r-- | 75775 | root |
root |
/usr/share/ergo/basis/aug-cc-pVQZ
|
| -rw-r--r-- | 56070 | root |
root |
/usr/share/ergo/basis/aug-cc-pVTZ
|
| -rw-r--r-- | 18820 | root |
root |
/usr/share/ergo/basis/aug-cc-pVTZ-J
|
| -rw-r--r-- | 40456 | root |
root |
/usr/share/ergo/basis/aug-pV7Z
|
| -rw-r--r-- | 37842 | root |
root |
/usr/share/ergo/basis/cc-pCV5Z
|
| -rw-r--r-- | 24093 | root |
root |
/usr/share/ergo/basis/cc-pCVDZ
|
| -rw-r--r-- | 66709 | root |
root |
/usr/share/ergo/basis/cc-pCVQZ
|
| -rw-r--r-- | 41650 | root |
root |
/usr/share/ergo/basis/cc-pCVTZ
|
| -rw-r--r-- | 24878 | root |
root |
/usr/share/ergo/basis/cc-pV(5+d)Z
|
| -rw-r--r-- | 32047 | root |
root |
/usr/share/ergo/basis/cc-pV(6+d)Z
|
| -rw-r--r-- | 9154 | root |
root |
/usr/share/ergo/basis/cc-pV(D+d)Z
|
| -rw-r--r-- | 17637 | root |
root |
/usr/share/ergo/basis/cc-pV(Q+d)Z
|
| -rw-r--r-- | 13179 | root |
root |
/usr/share/ergo/basis/cc-pV(T+d)Z
|
| -rw-r--r-- | 89620 | root |
root |
/usr/share/ergo/basis/cc-pV5Z
|
| -rw-r--r-- | 83216 | root |
root |
/usr/share/ergo/basis/cc-pV5Z-DK
|
| -rw-r--r-- | 13906 | root |
root |
/usr/share/ergo/basis/cc-pV5Zdenfit
|
| -rw-r--r-- | 58754 | root |
root |
/usr/share/ergo/basis/cc-pV6Z
|
| -rw-r--r-- | 30292 | root |
root |
/usr/share/ergo/basis/cc-pVDZ
|
| -rw-r--r-- | 28512 | root |
root |
/usr/share/ergo/basis/cc-pVDZ-DK
|
| -rw-r--r-- | 54144 | root |
root |
/usr/share/ergo/basis/cc-pVQZ
|
| -rw-r--r-- | 59538 | root |
root |
/usr/share/ergo/basis/cc-pVQZ-DK
|
| -rw-r--r-- | 12251 | root |
root |
/usr/share/ergo/basis/cc-pVQZdenfit
|
| -rw-r--r-- | 21715 | root |
root |
/usr/share/ergo/basis/cc-pVTZ
|
| -rw-r--r-- | 42739 | root |
root |
/usr/share/ergo/basis/cc-pVTZ-DK
|
| -rw-r--r-- | 11015 | root |
root |
/usr/share/ergo/basis/cc-pVTZdenfit
|
| -rw-r--r-- | 79293 | root |
root |
/usr/share/ergo/basis/cc-pwCV5Z
|
| -rw-r--r-- | 20554 | root |
root |
/usr/share/ergo/basis/cc-pwCVDZ
|
| -rw-r--r-- | 55690 | root |
root |
/usr/share/ergo/basis/cc-pwCVQZ
|
| -rw-r--r-- | 34720 | root |
root |
/usr/share/ergo/basis/cc-pwCVTZ
|
| -rw-r--r-- | 56038 | root |
root |
/usr/share/ergo/basis/ecp-sdd-DZ
|
| -rw-r--r-- | 65122 | root |
root |
/usr/share/ergo/basis/ecp-sdd-pseudo
|
| -rw-r--r-- | 93740 | root |
root |
/usr/share/ergo/basis/hybrid-guess-basis
|
| -rw-r--r-- | 19214 | root |
root |
/usr/share/ergo/basis/japrtano
|
| -rw-r--r-- | 14666 | root |
root |
/usr/share/ergo/basis/pV6Z
|
| -rw-r--r-- | 31831 | root |
root |
/usr/share/ergo/basis/pV7Z
|
| -rw-r--r-- | 96383 | root |
root |
/usr/share/ergo/basis/raf-r
|
| -rw-r--r-- | 14130 | root |
root |
/usr/share/ergo/basis/sad-J
|
| -rw-r--r-- | 73715 | root |
root |
/usr/share/ergo/basis/sadlej
|
