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cclib-data 1.6.2-2
  • links: PTS, VCS
  • area: non-free
  • in suites: bookworm, bullseye, sid
  • size: 87,912 kB
  • sloc: python: 16,440; sh: 131; makefile: 79; cpp: 31

Folder: basicNWChem6.5

d .. (parent)
- - rw-r--r-- 180 C_bigbasis.nw
- - rw-r--r-- 26,182 C_bigbasis.out
- - rw-r--r-- 1,590 Trp_polar.in
- - rw-r--r-- 63,360 Trp_polar.out
- - rw-r--r-- 1,210 dvb_gopt_hf.nw
- - rw-r--r-- 322,030 dvb_gopt_hf.out
- - rw-r--r-- 1,235 dvb_gopt_ks.nw
- - rw-r--r-- 276,428 dvb_gopt_ks.out
- - rw-r--r-- 1,355 dvb_sp_hf.nw
- - rw-r--r-- 234,033 dvb_sp_hf.out
- - rw-r--r-- 1,352 dvb_sp_hf_overlaps.nw
- - rw-r--r-- 169,919 dvb_sp_hf_overlaps.out
- - rw-r--r-- 1,382 dvb_sp_ks.nw
- - rw-r--r-- 235,161 dvb_sp_ks.out
- - rw-r--r-- 1,379 dvb_sp_ks_overlaps.nw
- - rw-r--r-- 171,047 dvb_sp_ks_overlaps.out
- - rw-r--r-- 1,353 dvb_un_sp_ks.nw
- - rw-r--r-- 222,674 dvb_un_sp_ks.out
- - rw-r--r-- 210 water_ccsd%28t%29.nw
- - rw-r--r-- 25,935 water_ccsd%28t%29.out
- - rw-r--r-- 179 water_mp2.nw
- - rw-r--r-- 22,432 water_mp2.out