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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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18
lib/gpu/lal_gauss.h
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -24,13 +24,13 @@ template <class numtyp, class acctyp>
class Gauss : public BaseAtomic<numtyp, acctyp> {
public:
Gauss();
~Gauss();
~Gauss();
/// Clear any previous data and set up for a new LAMMPS run
/** \param max_nbors initial number of rows in the neighbor matrix
* \param cell_size cutoff + skin
* \param gpu_split fraction of particles handled by device
*
*
* Returns:
* - 0 if successfull
* - -1 if fix gpu not found
@ -38,16 +38,16 @@ class Gauss : public BaseAtomic<numtyp, acctyp> {
* - -4 if the GPU library was not compiled for GPU
* - -5 Double precision is not supported on card **/
int init(const int ntypes, double **host_cutsq,
double **host_a, double **host_b, double **host_offset,
double **host_a, double **host_b, double **host_offset,
double *host_special_lj,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const int nlocal, const int nall, const int max_nbors,
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_a, double **host_b, double **host_offset);
/// Clear all host and device data
/** \note This is called at the beginning of the init() routine **/
void clear();
@ -68,7 +68,7 @@ class Gauss : public BaseAtomic<numtyp, acctyp> {
/// If atom type constants fit in shared memory, use fast kernels
bool shared_types;
/// Number of atom types
/// Number of atom types
int _lj_types;
private: