source: tests/Examples@ 5f0ddd

ForceAnnealing_goodresults ForceAnnealing_tocheck
Name Size Rev Age Author Last Change
../
PartialChargeFitting fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
Simple fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
atlocal.in 34 bytes 8e0112   8 years FrederikHeber Added missing atlocal.in and molecuilder.in in tests Examples and …
Makefile.am 1.5 KB 854a1e   8 years FrederikHeber Increased max_jobs to 8 for all testsuite's Makefiles.am. - running …
molecuilder.in 514 bytes 8e0112   8 years FrederikHeber Added missing atlocal.in and molecuilder.in in tests Examples and …
molecuilder_poolworker.in 300 bytes fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
testsuite-examples.at 1005 bytes 51662a   8 years FrederikHeber Added Example with partial charge fitting to water molecule.
testsuite.at 1.2 KB 4464ef   8 years FrederikHeber Added Examples tests that integrate the full fragment automation pipeline.
  • Property mode set to 040000
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