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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-11 00:41:00 +00:00
parent 4bc2d6f332
commit 82ec94916d
79 changed files with 458 additions and 315 deletions
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19
src/compute.h
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@ -15,6 +15,7 @@
#define LMP_COMPUTE_H
#include "pointers.h"
#include "lmptype.h"
namespace LAMMPS_NS {
@ -63,14 +64,14 @@ class Compute : protected Pointers {
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
bigint *tlist; // list of timesteps the Compute is called on
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_array; // ditto for compute_array()
int invoked_peratom; // ditto for compute_peratom()
int invoked_local; // ditto for compute_local()
int invoked_flag; // non-zero if invoked or accessed this step, 0 if not
bigint invoked_scalar; // last timestep on which compute_scalar() was invoked
bigint invoked_vector; // ditto for compute_vector()
bigint invoked_array; // ditto for compute_array()
bigint invoked_peratom; // ditto for compute_peratom()
bigint invoked_local; // ditto for compute_local()
double dof; // degrees-of-freedom for temperature
@ -103,8 +104,8 @@ class Compute : protected Pointers {
virtual void reset_extra_compute_fix(char *);
void addstep(int);
int matchstep(int);
void addstep(bigint);
int matchstep(bigint);
void clearstep();
virtual double memory_usage() {return 0.0;}