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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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20
lib/gpu/lal_colloid.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 Colloid : public BaseAtomic<numtyp, acctyp> {
public:
Colloid();
~Colloid();
~Colloid();
/// 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
@ -40,11 +40,11 @@ class Colloid : public BaseAtomic<numtyp, acctyp> {
int init(const int ntypes, double **host_cutsq,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset, double *host_special_lj,
double **host_a12, double **host_a1, double **host_a2,
double **host_d1, double **host_d2, double **host_sigma3,
double **host_sigma6, int **host_form,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
double **host_a12, double **host_a1, double **host_a2,
double **host_d1, double **host_d2, double **host_sigma3,
double **host_sigma6, int **host_form,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen);
/// Clear all host and device data
@ -65,7 +65,7 @@ class Colloid : public BaseAtomic<numtyp, acctyp> {
UCL_D_Vec<numtyp4> lj3;
/// colloid1.x = a12, colloid1.y = a1, colloid1.z = a2
UCL_D_Vec<numtyp4> colloid1;
/// colloid2.x = d1, colloid2.y = d2, colloid2.z = sigma3,
/// colloid2.x = d1, colloid2.y = d2, colloid2.z = sigma3,
/// colloid2.w = sigma6
UCL_D_Vec<numtyp4> colloid2;
/// form
@ -76,7 +76,7 @@ class Colloid : 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: