AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since e21d55 was d67e6c, checked in by Frederik Heber <heber@…>, 12 years ago |
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FIX: Changed inclusion guards of Fragmentation/defs.hpp to allow for other defs.hpp.
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Property mode
set to
100644
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File size:
1.0 KB
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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 FRAGMENTATION_DEFS_HPP_
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| 9 | #define FRAGMENTATION_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 /* FRAGMENTATION_DEFS_HPP_ */
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