source: @ 3839e5

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
tests 192f6e   14 years FrederikHeber FIX: Removed positional action "input". - BUG: This caused that input …
src 3839e5   14 years Till Crueger Added iterators over selected atoms and molecules
m4 62c3dde   14 years FrederikHeber Added m4 files containing AX_LANG_COMPILER_MS and AM_PATH_CPPUNIT to …
doc bf0edf   15 years FrederikHeber Added Searchengine to generated doxygen documentation. I.e. One has …
config 013a1f1   14 years FrederikHeber config/*, INSTALL and COPYING have not been present in the repo.
test_all.sh 3.9 KB ​ 7e0a6d   14 years Till Crueger Re-Added test script to split up version of molecuilder
README 815 bytes ​ 01a547d   14 years wildenhues Document Boost requirement. * README: Update.
NEWS 0 bytes ​ 14de469   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
Makefile.am 135 bytes ​ 8df4e3   15 years FrederikHeber Removed src/Actions from subdirs as this is handled in src/Makefile.am …
INSTALL 15.2 KB ​ 013a1f1   14 years FrederikHeber config/*, INSTALL and COPYING have not been present in the repo.
COPYING 34.3 KB ​ 013a1f1   14 years FrederikHeber config/*, INSTALL and COPYING have not been present in the repo.
configure.ac 3.5 KB ​ 6ac15b   14 years FrederikHeber Switched off ecut testrunner use by default.
ChangeLog 0 bytes ​ 6ac7ee   16 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
autogen.sh 55 bytes ​ 14de469   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
AUTHORS 39 bytes ​ 14de469   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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