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update code for ufm/gpu to match changes in base class where uf4 is removed

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This commit is contained in:
Axel Kohlmeyer
2020-08-03 08:12:09 -04:00
parent d271ee65e8
commit 7e5e741ea1
4 changed files with 46 additions and 49 deletions
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23
lib/gpu/lal_ufm.h
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@ -10,7 +10,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : pl.rodolfo@gmail.com
dekoning@ifi.unicamp.br
***************************************************************************/
@ -32,7 +32,7 @@ class UFM : public BaseAtomic<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 successful
* - -1 if fix gpu not found
@ -41,16 +41,15 @@ class UFM : public BaseAtomic<numtyp, acctyp> {
* - -5 Double precision is not supported on card **/
int init(const int ntypes, double **host_cutsq,
double **host_uf1, double **host_uf2, double **host_uf3,
double **host_uf4, double **host_offset, double *host_special_lj,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
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 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_uf1, double **host_uf2, double **host_uf3,
double **host_uf4, double **host_offset);
void reinit(const int ntypes, double **host_cutsq, double **host_uf1,
double **host_uf2, double **host_uf3, double **host_offset);
/// Clear all host and device data
/** \note This is called at the beginning of the init() routine **/
void clear();
@ -65,7 +64,7 @@ class UFM : public BaseAtomic<numtyp, acctyp> {
/// uf1.x = uf1, uf1.y = uf2, uf1.z = cutsq
UCL_D_Vec<numtyp4> uf1;
/// uf3.x = uf3, uf3.y = uf4, uf3.z = offset
/// uf3.x = uf3, uf3.y = uf2, uf3.z = offset
UCL_D_Vec<numtyp4> uf3;
/// Special LJ values
UCL_D_Vec<numtyp> sp_lj;
@ -73,7 +72,7 @@ class UFM : 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: