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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_dpd.h
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@ -24,23 +24,23 @@ template <class numtyp, class acctyp>
class DPD : public BaseDPD<numtyp, acctyp> {
public:
DPD();
~DPD();
~DPD();
/// 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
* - -3 if there is an out of memory error
* - -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_a0,
int init(const int ntypes, double **host_cutsq, double **host_a0,
double **host_gamma, double **host_sigma, double **host_cut,
double *host_special_lj, bool tstat_only, const int nlocal,
const int nall, const int max_nbors, const int maxspecial,
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
@ -52,11 +52,11 @@ class DPD : public BaseDPD<numtyp, acctyp> {
/// Total host memory used by library for pair style
double host_memory_usage() const;
/// Update coeff if needed (tstat only)
void update_coeff(int ntypes, double **host_a0, double **host_gamma,
double **host_sigma, double **host_cut);
// --------------------------- TYPE DATA --------------------------
/// coeff.x = a0, coeff.y = gamma, coeff.z = sigma, coeff.w = cut
@ -70,12 +70,12 @@ class DPD : public BaseDPD<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;
/// Only used for thermostat
int _tstat_only;
private:
bool _allocated;
void loop(const bool _eflag, const bool _vflag);