source: src/Parameters@ d93d2c

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
../
Specifics 2f429e   9 years FrederikHeber Elements are now parsed as string (and tried for being int). - this …
unittests 748fc7   10 years FrederikHeber libMolecuilder is now a shared library. - linking error …
Validators a58c16   9 years FrederikHeber Replaced World::getAllAtoms() by const version where possible.
ContinuousValue.hpp 1.7 KB ​ e45c1d   13 years FrederikHeber Added ParameterExceptions, is caught by Dialog::checkAll() for the …
ContinuousValue_impl.hpp 3.9 KB ​ e45c1d   13 years FrederikHeber Added ParameterExceptions, is caught by Dialog::checkAll() for the …
Makefile.am 7.0 KB ​ 80f678   9 years FrederikHeber FIX: Added Parameters Value_Elements to correctly set vector of …
Parameter.hpp 2.4 KB ​ b56114   10 years FrederikHeber FIX: Action..::outputAsPython now accesses parameters via …
Parameter_impl.hpp 6.7 KB ​ b56114   10 years FrederikHeber FIX: Action..::outputAsPython now accesses parameters via …
ParameterExceptions.hpp 1.1 KB ​ e45c1d   13 years FrederikHeber Added ParameterExceptions, is caught by Dialog::checkAll() for the …
ParameterInterface.hpp 770 bytes ​ cf1d82   12 years FrederikHeber Parameter now contains Value, not inherits. - added several function …
StreamOperators.hpp 7.4 KB ​ f01769   9 years FrederikHeber Replaced World::getAtom() wherever possible by const version. - some …
Value.hpp 3.3 KB ​ b56114   10 years FrederikHeber FIX: Action..::outputAsPython now accesses parameters via …
Value_impl.hpp 6.5 KB ​ b56114   10 years FrederikHeber FIX: Action..::outputAsPython now accesses parameters via …
ValueAsString.hpp 609 bytes ​ b11f5e   12 years FrederikHeber FIX: Value::setAsString(), ::getAsString take const ref. - arg chain …
ValueInterface.hpp 824 bytes ​ b56114   10 years FrederikHeber FIX: Action..::outputAsPython now accesses parameters via …
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