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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-28 14:21:55 +00:00
parent 8972165b3a
commit dba019f3e4
28 changed files with 737 additions and 245 deletions
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5
src/improper.h
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@ -28,6 +28,8 @@ class Improper : protected Pointers {
double energy; // accumulated energies
double virial[6]; // accumlated virial
double *eatom,**vatom; // accumulated per-atom energy/virial
unsigned int datamask;
unsigned int datamask_ext;
Improper(class LAMMPS *);
virtual ~Improper();
@ -39,6 +41,9 @@ class Improper : protected Pointers {
virtual void read_restart(FILE *) = 0;
virtual double memory_usage();
virtual unsigned int data_mask() {return datamask;}
virtual unsigned int data_mask_ext() {return datamask_ext;}
protected:
int suffix_flag; // suffix compatibility flag