Added average keyword

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2015-12-02 05:06:52 +00:00
parent 3ca986fc6a
commit 00738a8baa
3 changed files with 77 additions and 22 deletions

View File

@ -33,7 +33,9 @@ class ComputeMSD : public Compute {
void set_arrays(int);
protected:
int comflag;
int comflag; // comflag = 1 if reference moves with center of mass
int avflag; // avflag = 1 if using average position as reference
int naverage; // number of samples for average position
bigint nmsd;
double masstotal;
char *id_fix;