source: src@ 631dcb

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
../
#border.cpp# 9.2 KB ​ 69eb71   16 years neuen Multiple changes to boundary, currently not fully operational. …
#makefile# 113 bytes ​ 69eb71   16 years neuen Multiple changes to boundary, currently not fully operational. …
#molecules.hpp# 17.6 KB ​ 69eb71   16 years neuen Multiple changes to boundary, currently not fully operational. …
analyzer.cpp 32.3 KB ​ 5bc4d0   16 years FrederikHeber Chi integration had some copy&paste error
atom.cpp 2.7 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
bond.cpp 4.0 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
boundary.cpp 101.7 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
boundary.hpp 3.7 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
builder.cpp 68.3 KB ​ 2746be   16 years FrederikHeber Basis for MPQC can now be specified via command line switch * -B is …
config.cpp 72.8 KB ​ 2746be   16 years FrederikHeber Basis for MPQC can now be specified via command line switch * -B is …
datacreator.cpp 35.0 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
datacreator.hpp 4.6 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
defs.hpp 4.9 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
element.cpp 1.4 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
elements.db 4.4 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
graph.cpp 885 bytes ​ cc2ee5   16 years FrederikHeber Just a temporary commit
graph.hpp 1.5 KB ​ 5621c3   16 years FrederikHeber Begin of implementing classes Graph, SubGraph, Node and Edge. So far …
Hbondangle.db 180 bytes ​ cc2ee5   16 years FrederikHeber Just a temporary commit
Hbonddistance.db 204 bytes ​ cc2ee5   16 years FrederikHeber Just a temporary commit
helpers.cpp 5.7 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
helpers.hpp 8.3 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
joiner.cpp 11.2 KB ​ 5bc4d0   16 years FrederikHeber Chi integration had some copy&paste error
Makefile.am 854 bytes ​ cc2ee5   16 years FrederikHeber Just a temporary commit
moleculelist.cpp 32.3 KB ​ 2746be   16 years FrederikHeber Basis for MPQC can now be specified via command line switch * -B is …
molecules.cpp 246.4 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
molecules.hpp 18.7 KB ​ 2746be   16 years FrederikHeber Basis for MPQC can now be specified via command line switch * -B is …
orbitals.db 442 bytes ​ cc2ee5   16 years FrederikHeber Just a temporary commit
parser.cpp 46.7 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
parser.hpp 4.4 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
periodentafel.cpp 9.3 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
periodentafel.hpp 2.5 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
ReMapDBondFileFromXYZ.py 5.9 KB ​ f683fe   16 years neuen Parses a pdb and xyz file and decideds which atoms are in both and …
stackclass.hpp 9.0 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
TAGS 13.1 KB ​ 69eb71   16 years neuen Multiple changes to boundary, currently not fully operational. …
valence.db 1.5 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
vector.cpp 25.5 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
vector.hpp 2.1 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
verbose.cpp 1.7 KB ​ cc2ee5   16 years FrederikHeber Just a temporary commit
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.