source: src/Jobs@ 70f2a1

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Name Size Rev Age Author Last Change
../
JobMarket dde50d   8 years frederik.heber FIX: boost::serialization 1.58 introduced changes which breaks …
unittests cb98f1   8 years FrederikHeber FIX: One Definition Rule violation by mpqc. - mpqc.cc implements …
ChargeSmearer.cpp 4.7 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
ChargeSmearer.hpp 3.9 KB ​ 62d092   9 years FrederikHeber Rewrote ChargeSmearer to use visitor pattern. - this is used for …
InterfaceVMGDebugGridJob.cpp 3.0 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
InterfaceVMGDebugGridJob.hpp 1.3 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
InterfaceVMGJob.cpp 14.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
InterfaceVMGJob.hpp 2.3 KB ​ 17e4fd   9 years FrederikHeber Added new option DoSmearElectronicCharges to …
Makefile.am 5.9 KB ​ ef7b4b   8 years FrederikHeber ENABLEFIX: disable-jobmarket is now working. - needed to add …
mpqc_extract.cc 21.9 KB ​ fbf005   8 years FrederikHeber HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. …
MPQCCommandJob.cpp 5.6 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
MPQCCommandJob.hpp 2.3 KB ​ d6a7b9   10 years FrederikHeber Specifying executable and suffix in SystemCommandJob with …
MPQCCommandJob_binding.hpp 574 bytes ​ 4d4ef8   12 years FrederikHeber FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. …
MPQCJob.cpp 2.4 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
MPQCJob.hpp 1.8 KB ​ ec1aae   8 years FrederikHeber FIX: MPQCData now correctly checks sampled_grid to be cubic.
MPQCJob_binding.hpp 612 bytes ​ 3d9a8d   12 years FrederikHeber SamplingGrid has no more size parameter but an end array. - this …
MPQCJob_Work.cpp 4.6 KB ​ ef7b4b   8 years FrederikHeber ENABLEFIX: disable-jobmarket is now working. - needed to add …
VMGDebugGridJob.cpp 5.2 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
VMGDebugGridJob.hpp 2.0 KB ​ f6c19d   11 years FrederikHeber InterfaceVMGDebugJob now also uses optionally open boundary (FAS …
VMGDebugGridJob_binding.hpp 589 bytes ​ 4d4ef8   12 years FrederikHeber FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. …
VMGJob.cpp 8.5 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
VMGJob.hpp 4.6 KB ​ 17e4fd   9 years FrederikHeber Added new option DoSmearElectronicCharges to …
VMGJob_binding.hpp 629 bytes ​ 4d4ef8   12 years FrederikHeber FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. …
WindowGrid_converter.cpp 12.1 KB ​ 9eb71b3   8 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
WindowGrid_converter.hpp 1.5 KB ​ 17e4fd   9 years FrederikHeber Added new option DoSmearElectronicCharges to …
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