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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8117 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-05-22 13:55:50 +00:00
parent 828349de10
commit 14e2ca1696
2 changed files with 464 additions and 238 deletions
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14
src/fix_restrain.h
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@ -39,12 +39,16 @@ class FixRestrain : public Fix {
private:
int nlevels_respa;
int n_bonds, rstyle;
double k_start, k_stop, energy, energy_all;
int **atom_id;
double *target, *cos_shift, *sin_shift;
int nrestrain,maxrestrain;
int *rstyle;
int **ids;
double *kstart,*kstop,*target;
double *cos_target,*sin_target;
double energy,energy_all;
void restrain_dihedral();
void restrain_bond(int);
void restrain_angle(int);
void restrain_dihedral(int);
};
}