source: @ 81a9bc

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 81a9bc   14 years FrederikHeber BUGFIX: fixed initializer list sequence of MoleculeListClass.
tests 1cc87e   14 years FrederikHeber Added select-atoms-inside-sphere/cuboid and unselect-.. - new …
.gitignore 237 bytes ​ e971c4   14 years FrederikHeber Added .gitignore
AUTHORS 39 bytes ​ c88cde   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
autogen.sh 55 bytes ​ c88cde   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
ChangeLog 173 bytes ​ 6ac7ee   16 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
configure.ac 4.2 KB ​ 952f38   14 years FrederikHeber created LibMolecuilderHelpers. - is shared - renamed log.[ch]pp -> …
COPYING 50.8 KB ​ 013a1f1   14 years FrederikHeber config/*, INSTALL and COPYING have not been present in the repo.
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 1.8 KB ​ 01a547d   14 years wildenhues Document Boost requirement. * README: Update.
test_all.sh 4.3 KB ​ 04e61a   14 years Till Crueger Fixed a small bug in the valgrinding part of the test script
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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