Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 5e17bf was 33e801, checked in by Frederik Heber <heber@…>, 10 years ago |
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Added ParameterPair (i.e. "key = value;") to allow other string output.
- this will solve the problem of vectors of key-value-pairs not properly
converted into a single string because of missing semicolon.
- FIX: toCLIString used functions toPythonString if possible.
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-
Property mode
set to
100644
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File size:
1.1 KB
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| Rev | Line | |
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| [0286bc] | 1 | /*
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| 2 | * Values.hpp
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| 3 | *
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| 4 | * Created on: Jun 7, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef VALUES_HPP_
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| 9 | #define VALUES_HPP_
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| 10 |
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| [56f73b] | 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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| [06aedc] | 16 | #include "LinearAlgebra/defs.hpp"
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| [56f73b] | 17 |
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| [33e801] | 18 | #include <string>
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| 19 |
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| [528b3e] | 20 | class Box;
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| 21 | class BoxVector;
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| [7d9416] | 22 | class RealSpaceMatrix;
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| [528b3e] | 23 | class Vector;
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| 24 |
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| 25 | /** This is just a temporary container for values parsed from the command line.
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| 26 | * I.e. this is only used within CommandLineParser, where VectorType and alikes
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| 27 | * are registered as VectorValue and lateron inside the CommandLineQuery placed
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| 28 | * into the real vector.
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| 29 | */
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| [0286bc] | 30 | struct VectorValue
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| 31 | {
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| [528b3e] | 32 | double vector[NDIM];
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| 33 |
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| 34 | Vector toVector() const;
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| 35 | BoxVector toBoxVector(Box &_box) const;
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| [0286bc] | 36 | };
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| 37 |
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| [528b3e] | 38 | /** This is just a temporary container for values parsed from the command line.
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| 39 | * I.e. this is only used within CommandLineParser, where BoxType is registered
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| 40 | * as BoxValue and lateron inside the CommandLineQuery placed into the real Box.
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| 41 | */
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| [7d9416] | 42 | struct RealSpaceMatrixValue
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| [0286bc] | 43 | {
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| [528b3e] | 44 | double matrix[(NDIM*(NDIM+1))/2];
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| 45 |
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| [7d9416] | 46 | RealSpaceMatrix toRealSpaceMatrix() const;
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| [0286bc] | 47 | };
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| 48 |
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| 49 | #endif /* VALUES_HPP_ */
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| [33e801] | 50 |
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