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
Last change
on this file since 748fc7 was 856d05, checked in by Frederik Heber <heber@…>, 12 years ago |
MEMFIX: Added WorldTime and ObserverLog ::purgeInstance() calls.
- added several memory fixes:
- added ObserverLog include to GLMoleculeObject_bond, _molecule, and
GLWorldView.
- TESTFIX: due to changes with new JobMarket, we need to give jobids in
regression test mpqc-jobs.
|
-
Property mode
set to
100644
|
File size:
910 bytes
|
Line | |
---|
1 | /*
|
---|
2 | * ControllerOptions_MPQCCommandJob.hpp
|
---|
3 | *
|
---|
4 | * Created on: Jun 6, 2012
|
---|
5 | * Author: heber
|
---|
6 | */
|
---|
7 |
|
---|
8 | #ifndef CONTROLLEROPTIONS_MPQCCOMMANDJOB_HPP_
|
---|
9 | #define CONTROLLEROPTIONS_MPQCCOMMANDJOB_HPP_
|
---|
10 |
|
---|
11 |
|
---|
12 | // include config.h
|
---|
13 | #ifdef HAVE_CONFIG_H
|
---|
14 | #include <config.h>
|
---|
15 | #endif
|
---|
16 |
|
---|
17 | #include <boost/program_options.hpp>
|
---|
18 | #include <string>
|
---|
19 |
|
---|
20 | #include "JobMarket/Controller/ControllerOptions.hpp"
|
---|
21 | #include "JobMarket/types.hpp"
|
---|
22 |
|
---|
23 | struct ControllerOptions_MPQCCommandJob : public ControllerOptions
|
---|
24 | {
|
---|
25 | int parseExecutable(boost::program_options::variables_map &vm);
|
---|
26 | int parseFragmentpath(boost::program_options::variables_map &vm);
|
---|
27 | int parseJobfiles(boost::program_options::variables_map &vm);
|
---|
28 | int parseIds(boost::program_options::variables_map &vm);
|
---|
29 |
|
---|
30 | std::string executable;
|
---|
31 | std::string fragmentpath;
|
---|
32 | std::vector<std::string> jobfiles;
|
---|
33 | std::vector<JobId_t> ids;
|
---|
34 | };
|
---|
35 |
|
---|
36 |
|
---|
37 |
|
---|
38 |
|
---|
39 | #endif /* CONTROLLEROPTIONS_MPQCCOMMANDJOB_HPP_ */
|
---|
Note:
See
TracBrowser
for help on using the repository browser.