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More cleanup

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This commit is contained in:
Trung Nguyen
2021-09-17 23:24:23 -05:00
parent 78045d8f76
commit 5d801e985f
3 changed files with 82 additions and 68 deletions
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11
lib/gpu/lal_base_amoeba.h
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@ -192,8 +192,8 @@ class BaseAmoeba {
const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **numj, const double cpu_time, bool &success,
const double aewald, const double felec, const double off2_polar, double *charge,
double *boxlo, double *prd, void **tep_ptr);
const double aewald, const double felec, const double off2_polar,
double *charge, double *boxlo, double *prd, void **tep_ptr);
/// Compute polar real-space with host neighboring (not active for now)
void compute_polar_real_host_nbor(const int f_ago, const int inum_full, const int nall,
@ -202,8 +202,9 @@ class BaseAmoeba {
double **host_uinp, int *ilist, int *numj,
int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success, const double aewald, const double felec, const double off2_polar,
double *charge, const int nlocal, double *boxlo, double *prd, void **tep_ptr);
const double cpu_time, bool &success, const double aewald, const double felec,
const double off2_polar, double *charge, const int nlocal, double *boxlo,
double *prd, void **tep_ptr);
// -------------------------- DEVICE DATA -------------------------
@ -271,7 +272,7 @@ class BaseAmoeba {
int _extra_fields;
double _max_bytes, _max_an_bytes, _maxspecial, _maxspecial15, _max_nbors;
double _gpu_overhead, _driver_overhead;
bool short_nbor_avail;
bool short_nbor_polar_avail;
UCL_D_Vec<int> *_nbor_data;
numtyp _aewald,_felec;