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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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14
lib/gpu/lal_lj_coul_msm.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
***************************************************************************/
@ -30,7 +30,7 @@ class LJCoulMSM : public BaseCharge<numtyp, acctyp> {
/** \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
@ -41,8 +41,8 @@ class LJCoulMSM : public BaseCharge<numtyp, acctyp> {
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_gcons, double **host_dgcons,
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, double **host_cut_ljsq,
const double host_cut_coulsq, double *host_special_coul,
const int order, const double qqrd2e);
@ -65,14 +65,14 @@ class LJCoulMSM : public BaseCharge<numtyp, acctyp> {
UCL_D_Vec<numtyp4> lj3;
/// Special LJ values [0-3] and Special Coul values [4-7]
UCL_D_Vec<numtyp> sp_lj;
UCL_D_Vec<numtyp> gcons, dgcons;
UCL_Texture gcons_tex, dgcons_tex;
/// 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;
numtyp _cut_coulsq, _qqrd2e;