source: ThirdParty/mpqc_open/src/bin/mpqc/validate@ 70f2a1

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps stable
Name Size Rev Age Author Last Change
../
ref 5169d1b   56 years (none)
METHODSINPUTS 398fcd   9 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
methods 5169d1b   56 years (none)
mbpt 5169d1b   56 years (none)
INPUTINPUTS 398fcd   9 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
input 5169d1b   56 years (none)
H2OMP2INPUTS 398fcd   9 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
H2OINPUTS 86fb69   9 years FrederikHeber Added scripts to convert check0 to autotest files.
H2OFRQINPUTS 398fcd   9 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
ckpt 5169d1b   56 years (none)
uscf.qci 619 bytes ​ 5169d1b   56 years (none)
testsuite.at 1.7 KB ​ 398fcd   9 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
symm3.qci 7.0 KB ​ 5169d1b   56 years (none)
symm2.qci 661 bytes ​ 5169d1b   56 years (none)
symm1.qci 1.1 KB ​ 5169d1b   56 years (none)
orthog.qci 535 bytes ​ 5169d1b   56 years (none)
optts.qci 1.1 KB ​ 5169d1b   56 years (none)
opt.qci 882 bytes ​ 5169d1b   56 years (none)
mp2r12.qci 318 bytes ​ 5169d1b   56 years (none)
molecuilder_mpqc.in 395 bytes ​ 2877c5   9 years FrederikHeber FIX: mpqc's test programs needed env SCLIBDIR in case of …
makein.pl 15.5 KB ​ 5169d1b   56 years (none)
Makefile.am 6.8 KB ​ 854a1e   9 years FrederikHeber Increased max_jobs to 8 for all testsuite's Makefiles.am. - running …
Makefile 26.8 KB ​ 22d431   9 years FrederikHeber Changes to mpqc/validate's Makefile to make it work in target check.
makeccain.pl.in 1.0 KB ​ 5169d1b   56 years (none)
hsosscf.qci 608 bytes ​ 5169d1b   56 years (none)
h2omp2.qci 271 bytes ​ 5169d1b   56 years (none)
h2ofrq.qci 257 bytes ​ 5169d1b   56 years (none)
h2o.qci 258 bytes ​ 5169d1b   56 years (none)
dft.qci 3.4 KB ​ 5169d1b   56 years (none)
clscf.qci 396 bytes ​ 5169d1b   56 years (none)
checkout.pl 14.7 KB ​ 5169d1b   56 years (none)
checkccaout.pl 5.5 KB ​ 5169d1b   56 years (none)
ccaintv3.qci 320 bytes ​ 5169d1b   56 years (none)
ccacints.qci 313 bytes ​ 5169d1b   56 years (none)
basis2.qci 2.0 KB ​ 5169d1b   56 years (none)
basis1.qci 1.6 KB ​ 5169d1b   56 years (none)
atlocal.in 101 bytes ​ 398fcd   9 years FrederikHeber Converted validate subfolder into autotest suite. - so long only for …
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