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 dcbb5d was a9b86d, checked in by Frederik Heber <heber@…>, 13 years ago |
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Split up modules parser.[ch]pp into one module per class.
- fixed inclusion of parser.hpp in some other files.
- for the moment we have to use libMolecuilderUI for joiner and analyzer.
- Removed inline definition from FixedDigitNumber().
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-
Property mode
set to
100644
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File size:
1.0 KB
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| Line | |
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| 1 | /*
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| 2 | * defs.hpp
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| 3 | *
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| 4 | * Created on: Sep 15, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef DEFS_HPP_
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| 9 | #define DEFS_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #define EnergySuffix ".energy.all"
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| 18 | #define EnergyFragmentSuffix ".energyfragment.all"
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| 19 | #define ForcesSuffix ".forces.all"
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| 20 | #define ForceFragmentSuffix ".forcefragment.all"
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| 21 | #define HcorrectionSuffix ".Hcorrection.all"
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| 22 | #define HcorrectionFragmentSuffix ".Hcorrectionfragment.all"
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| 23 | #define HessianSuffix ".hessian_xx.all"
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| 24 | #define HessianFragmentSuffix ".hessianfragment_xx.all"
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| 25 | #define OrderSuffix ".Order"
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| 26 | #define ShieldingSuffix ".sigma_all.csv"
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| 27 | #define ShieldingPASSuffix ".sigma_all_PAS.csv"
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| 28 | #define ShieldingFragmentSuffix ".sigma_all_fragment.all"
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| 29 | #define ShieldingPASFragmentSuffix ".sigma_all_PAS_fragment.all"
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| 30 | #define ChiSuffix ".chi_all.csv"
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| 31 | #define ChiPASSuffix ".chi_all_PAS.csv"
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| 32 | #define ChiFragmentSuffix ".chi_all_fragment.all"
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| 33 | #define ChiPASFragmentSuffix ".chi_all_PAS_fragment.all"
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| 34 | #define TimeSuffix ".speed"
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| 35 |
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| 36 |
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| 37 | #endif /* DEFS_HPP_ */
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