ForceAnnealing_goodresults
ForceAnnealing_tocheck
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Last change
on this file since 1b64b2f was f01769, checked in by Frederik Heber <heber@…>, 10 years ago |
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Replaced World::getAtom() wherever possible by const version.
- some AtomSet member functions now have const atom ptr instead of atom ptr.
- molecule can return const and non-const AtomSet.
- added FromIdToConstAtom to allow iterate through atoms in molecule (which
are stored by id, not by ptr) in const fashion.
- in molecule::isInMolecule() is now const, ::CopyMolecule..() is non-const
(because copying involves father atom who is stored non-const).
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-
Property mode
set to
100644
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File size:
1.4 KB
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| 1 | /*
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| 2 | * RepeatBoxAction.def
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| 3 | *
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| 4 | * Created on: Aug 26, 2010
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | // all includes and forward declarations necessary for non-integral types below
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| 9 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| 10 | #include <set>
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| 11 | #include <vector>
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| 12 |
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| 13 | class molecule;
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| 14 |
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| 15 | #include "LinearAlgebra/defs.hpp"
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| 16 | #include "Parameters/Validators/DummyValidator.hpp"
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| 17 | #include "Parameters/Validators/STLVectorValidator.hpp"
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| 18 |
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| 19 | // i.e. there is an integer with variable name Z that can be found in
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| 20 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 21 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 22 | #define paramtypes (std::vector< unsigned int >)
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| 23 | #define paramtokens ("repeat-box")
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| 24 | #define paramdescriptions ("number of copies to create per axis")
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| 25 | #undef paramdefaults
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| 26 | #define paramreferences (Repeater)
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| 27 | #define paramvalids \
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| 28 | (STLVectorValidator< std::vector< unsigned int > >(NDIM, NDIM))
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| 29 |
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| 30 | #define statetypes (RealSpaceMatrix)(std::set< molecule *>)
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| 31 | #define statereferences (olddomain)(oldmolecules)
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| 32 |
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| 33 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 34 | #define CATEGORY World
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| 35 | #define MENUNAME "world"
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| 36 | #define MENUPOSITION 8
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| 37 | #define ACTIONNAME RepeatBox
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| 38 | #define TOKEN "repeat-box"
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| 39 |
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| 40 |
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| 41 | // finally the information stored in the ActionTrait specialization
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| 42 | #define DESCRIPTION "create periodic copies of the simulation box per axis"
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| 43 | #define SHORTFORM "d"
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