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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4685 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-03 23:12:51 +00:00
parent 0916c0fa16
commit 5810937ea9
8 changed files with 67 additions and 26 deletions
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8
src/modify.h
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@ -27,7 +27,7 @@ class Modify : protected Pointers {
int n_final_integrate,n_end_of_step,n_thermo_energy;
int n_initial_integrate_respa,n_post_integrate_respa;
int n_pre_force_respa,n_post_force_respa,n_final_integrate_respa;
int n_min_pre_exchange,n_min_post_force,n_min_energy;
int n_min_pre_exchange,n_min_pre_force,n_min_post_force,n_min_energy;
int restart_pbc_any; // 1 if any fix sets restart_pbc
int nfix_restart_global; // stored fix global info from restart file
@ -55,13 +55,16 @@ class Modify : protected Pointers {
void end_of_step();
double thermo_energy();
void setup_pre_force_respa(int, int);
void initial_integrate_respa(int, int, int);
void post_integrate_respa(int, int);
void pre_force_respa(int, int, int);
void post_force_respa(int, int, int);
void final_integrate_respa(int, int);
void setup_min_pre_force(int);
void min_pre_exchange();
void min_pre_force(int);
void min_post_force(int);
double min_energy(double *);
@ -104,7 +107,8 @@ class Modify : protected Pointers {
int *list_initial_integrate_respa,*list_post_integrate_respa;
int *list_pre_force_respa,*list_post_force_respa;
int *list_final_integrate_respa;
int *list_min_pre_exchange,*list_min_post_force,*list_min_energy;
int *list_min_pre_exchange,*list_min_pre_force;
int *list_min_post_force,*list_min_energy;
int *end_of_step_every;