source: tests/Python@ bd19c1

Candidate_v1.6.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph_contraction-expansion
Name Size Rev Age Author Last Change
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AllActions b2acca   7 years frederik.heber ForceAnnealing can now be used either atom- or bond-centered. - new …
BoxMaker e8fde0   11 years FrederikHeber FIX: python regression test BoxMaker did not check for 'units'.
CommandHelp 068a85   10 years FrederikHeber FIX: print on CommandHelp("help") not required in python regression …
ForceAnnealing bd19c1   7 years frederik.heber Capping BB update step at 0.2 and general BB stepwidth at maximum of …
ReturnValueActions cc6e5c   11 years FrederikHeber Replaced Reactions by simple function exported to pyMoleCuilder. - …
atlocal.in 137 bytes c015b3   13 years FrederikHeber Added enable-switches for Qt-based GUI and python module and scripts. …
Makefile.am 2.0 KB 075357   7 years frederik.heber TEST: Adding Python test on ForceAnnealing using an Ising model with …
numpy_check.py 142 bytes 075357   7 years frederik.heber TEST: Adding Python test on ForceAnnealing using an Ising model with …
run.in 1.0 KB 7672284   8 years FrederikHeber FIX: install target now works with multiple threads. - the problem …
testsuite.at 1.9 KB 075357   7 years frederik.heber TEST: Adding Python test on ForceAnnealing using an Ising model with …
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