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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14479 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2016-01-23 00:49:10 +00:00
parent 7f049bb31b
commit 5d99bf664e
1 changed files with 12 additions and 0 deletions
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12
src/pair.h
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@ -116,6 +116,7 @@ class Pair : protected Pointers {
void init(); void init();
virtual void reinit(); virtual void reinit();
virtual void setup() {}
double mix_energy(double, double, double, double); double mix_energy(double, double, double, double);
double mix_distance(double, double); double mix_distance(double, double);
void write_file(int, char **); void write_file(int, char **);
@ -237,6 +238,17 @@ class Pair : protected Pointers {
double, double, double, double, double, double); double, double, double, double, double, double);
void virial_fdotr_compute(); void virial_fdotr_compute();
// union data struct for packing 32-bit and 64-bit ints into double bufs
// see atom_vec.h for documentation
union ubuf {
double d;
int64_t i;
ubuf(double arg) : d(arg) {}
ubuf(int64_t arg) : i(arg) {}
ubuf(int arg) : i(arg) {}
};
inline int sbmask(int j) { inline int sbmask(int j) {
return j >> SBBITS & 3; return j >> SBBITS & 3;
} }