source: @ 53d01c

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
config 861874   14 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
doc 44de80   14 years FrederikHeber Added blurred INS logo in the background of the TRAC logo.
m4 861874   14 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
src 53d01c   14 years FrederikHeber Renamed dir Actions/CmdAction -> Actions/CommandAction, renamed class …
tests 2f6f51   14 years FrederikHeber Enabled XML file of valgrind errors, can be viewed with memcheckview.
.gitignore 237 bytes e971c4   14 years FrederikHeber Added .gitignore
AUTHORS 204 bytes 9cd807   14 years FrederikHeber FIX: Other authors were missing again in AUTHORS (thx Ralf!). - …
bootstrap 248 bytes 1ee380f   14 years FrederikHeber Replaced autogen.sh with TREMOLO-derivate bootstrap shell. - …
ChangeLog 173 bytes 6ac7ee   16 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
configure.ac 4.8 KB 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
COPYING 17.6 KB 8e463e   14 years FrederikHeber FIX: COPYING AND README still had conflict markers (thx Ralf!).
INSTALL 15.2 KB 013a1f1   14 years FrederikHeber config/*, INSTALL and COPYING have not been present in the repo.
libmolecuilder_config.h.in 0 bytes 861874   14 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
Makefile.am 200 bytes 861874   14 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
molecuilder.pc.in 412 bytes 6a86ce   14 years FrederikHeber libparser is now a shared library libMolecuilderParser Necessary …
NEWS 0 bytes c88cde   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
README 891 bytes 8e463e   14 years FrederikHeber FIX: COPYING AND README still had conflict markers (thx Ralf!).
test_all.sh 4.6 KB 490038   14 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
TestRunnerClient.cpp 11.8 KB 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
TestRunnerClient.h 4.1 KB 861874   14 years FrederikHeber libMolecuilderAction is now a shared lib via libtool. This is all …
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