source: ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn@ 6a5921

AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph_contraction-expansion StoppableMakroAction stable
Name Size Rev Age Author Last Change
../
wfntest.kv 6.4 KB ​ 5169d1b   57 years (none)
wfntest.cc 4.8 KB ​ 5169d1b   57 years (none)
wfn.h 9.2 KB ​ 5169d1b   57 years (none)
wfn.cc 31.7 KB ​ 5169d1b   57 years (none)
solvent.h 2.1 KB ​ 5169d1b   57 years (none)
solvent.cc 15.7 KB ​ 5169d1b   57 years (none)
orbital.h 1.6 KB ​ 5169d1b   57 years (none)
orbital.cc 2.7 KB ​ 5169d1b   57 years (none)
obwfn.h 7.7 KB ​ 5169d1b   57 years (none)
obwfn.cc 16.7 KB ​ 5169d1b   57 years (none)
natorbval.cc 2.7 KB ​ 5169d1b   57 years (none)
nao.cc 27.7 KB ​ 5169d1b   57 years (none)
Makefile.am 3.3 KB ​ b7e5b0   9 years FrederikHeber Added files created by tests to DISTCLEANFILES.
Makefile 1.7 KB ​ 5169d1b   57 years (none)
linkage.h 1.5 KB ​ 5169d1b   57 years (none)
LIBS.h 255 bytes ​ 5169d1b   57 years (none)
hcorewfn.cc 8.1 KB ​ 5169d1b   57 years (none)
eht.h 2.0 KB ​ 5169d1b   57 years (none)
eht.cc 10.1 KB ​ 5169d1b   57 years (none)
densval.cc 4.2 KB ​ 5169d1b   57 years (none)
density.h 8.0 KB ​ 5169d1b   57 years (none)
density.cc 22.4 KB ​ 5169d1b   57 years (none)
accum.h 2.4 KB ​ 5169d1b   57 years (none)
accum.cc 3.8 KB ​ 5169d1b   57 years (none)
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.