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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
2016-09-08 20:20:32 +00:00
parent 06b7d56e16
commit b190abea39
439 changed files with 6275 additions and 5739 deletions
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30
src/force.h
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@ -48,9 +48,6 @@ class Force : protected Pointers {
class Pair *pair;
char *pair_style;
typedef Pair *(*PairCreator)(LAMMPS *);
std::map<std::string,PairCreator> *pair_map;
class Bond *bond;
char *bond_style;
@ -65,6 +62,28 @@ class Force : protected Pointers {
class KSpace *kspace;
char *kspace_style;
typedef Pair *(*PairCreator)(LAMMPS *);
typedef Bond *(*BondCreator)(LAMMPS *);
typedef Angle *(*AngleCreator)(LAMMPS *);
typedef Dihedral *(*DihedralCreator)(LAMMPS *);
typedef Improper *(*ImproperCreator)(LAMMPS *);
typedef KSpace *(*KSpaceCreator)(LAMMPS *,int,char**);
typedef std::map<std::string,PairCreator> PairCreatorMap;
typedef std::map<std::string,BondCreator> BondCreatorMap;
typedef std::map<std::string,AngleCreator> AngleCreatorMap;
typedef std::map<std::string,DihedralCreator> DihedralCreatorMap;
typedef std::map<std::string,ImproperCreator> ImproperCreatorMap;
typedef std::map<std::string,KSpaceCreator> KSpaceCreatorMap;
PairCreatorMap *pair_map;
BondCreatorMap *bond_map;
AngleCreatorMap *angle_map;
DihedralCreatorMap *dihedral_map;
ImproperCreatorMap *improper_map;
KSpaceCreatorMap *kspace_map;
// index [0] is not used in these arrays
double special_lj[4]; // 1-2, 1-3, 1-4 prefactors for LJ
double special_coul[4]; // 1-2, 1-3, 1-4 prefactors for Coulombics
@ -121,6 +140,11 @@ class Force : protected Pointers {
private:
template <typename T> static Pair *pair_creator(LAMMPS *);
template <typename T> static Bond *bond_creator(LAMMPS *);
template <typename T> static Angle *angle_creator(LAMMPS *);
template <typename T> static Dihedral *dihedral_creator(LAMMPS *);
template <typename T> static Improper *improper_creator(LAMMPS *);
template <typename T> static KSpace *kspace_creator(LAMMPS *, int, char **);
};
}