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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-07-01 20:28:37 +00:00
parent b58c43a5ec
commit c318361d2f
15 changed files with 97 additions and 101 deletions
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6
src/compute.h
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@ -47,14 +47,12 @@ class Compute : protected Pointers {
int tempbias; // 0/1 if Compute temp includes self/extra bias
char *id_pre; // ID of pre-compute the Compute may store
int timeflag; // 1 if Compute stores list of timesteps it's called on
int ntime; // # of entries in time list
int maxtime; // max # of entries time list can hold
int *tlist; // time list of steps the Compute is called on
int invoked_flag; // 1 if invoked or accessed this step, 0 if not
int invoked_flag; // non-zero if invoked or accessed this step, 0 if not
int invoked_scalar; // last timestep on which compute_scalar() was invoked
int invoked_vector; // ditto for compute_vector()
int invoked_peratom; // ditto for compute_peratom()
@ -86,6 +84,8 @@ class Compute : protected Pointers {
virtual void restore_bias(int, double *) {}
virtual void restore_bias_all() {}
virtual void reset_extra_compute(char *);
void addstep(int);
int matchstep(int);
void clearstep();