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changes to imbalance weight factors

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This commit is contained in:
Steve Plimpton
2016-10-05 10:33:39 -06:00
parent 11c2892e54
commit c46be7db62
36 changed files with 241 additions and 302 deletions
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6
src/improper.h
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@ -29,10 +29,9 @@ 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;
// KOKKOS host/device flag and data masks
ExecutionSpace execution_space;
unsigned int datamask_read,datamask_modify;
int copymode;
@ -49,9 +48,6 @@ class Improper : protected Pointers {
virtual void write_data(FILE *) {}
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