git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-06-27 17:25:22 +00:00
parent f745f24bcd
commit 67ae64329e
24 changed files with 422 additions and 55 deletions

View File

@ -13,8 +13,8 @@
email : nguyentd@ornl.gov
***************************************************************************/
#ifndef LAL_GAUSS_H
#define LAL_GAYSS_H
#ifndef LAL_SOFT_H
#define LAL_SOFT_H
#include "lal_base_atomic.h"
@ -44,6 +44,10 @@ class Soft : public BaseAtomic<numtyp, acctyp> {
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen);
/// Send updated coeffs from host to device (to be compatible with fix adapt)
void reinit(const int ntypes, double **host_cutsq,
double **host_prefactor, double **host_cut);
/// Clear all host and device data
/** \note This is called at the beginning of the init() routine **/
void clear();