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reformat for increased readability

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This commit is contained in:
Axel Kohlmeyer
2021-09-16 07:25:04 -04:00
parent dc50db0675
commit 353b3a2bb3
5 changed files with 25 additions and 35 deletions
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18
src/GPU/fix_gpu.cpp
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@ -50,12 +50,10 @@ extern int lmp_init_device(MPI_Comm world, MPI_Comm replica, const int ngpu,
const int ocl_platform, char *device_type_flags,
const int block_pair);
extern void lmp_clear_device();
extern double lmp_gpu_forces(double **f, double **tor, double *eatom,
double **vatom, double *virial, double &ecoul,
int &err_flag);
extern double lmp_gpu_update_bin_size(const double subx, const double suby,
const double subz, const int nlocal,
const double cut);
extern double lmp_gpu_forces(double **f, double **tor, double *eatom, double **vatom,
double *virial, double &ecoul, int &err_flag);
extern double lmp_gpu_update_bin_size(const double subx, const double suby, const double subz,
const int nlocal, const double cut);
static const char cite_gpu_package[] =
"GPU package (short-range, long-range and three-body potentials):\n\n"
@ -327,13 +325,11 @@ void FixGPU::post_force(int /* vflag */)
double lvirial[6];
for (int i = 0; i < 6; i++) lvirial[i] = 0.0;
int err_flag;
double my_eng = lmp_gpu_forces(atom->f, atom->torque, force->pair->eatom,
force->pair->vatom, lvirial,
force->pair->eng_coul, err_flag);
double my_eng = lmp_gpu_forces(atom->f, atom->torque, force->pair->eatom, force->pair->vatom,
lvirial, force->pair->eng_coul, err_flag);
if (err_flag) {
if (err_flag==1)
error->one(FLERR,
"Too many neighbors on GPU. Use neigh_modify one to increase limit.");
error->one(FLERR,"Too many neighbors on GPU. Use neigh_modify one to increase limit.");
}
force->pair->eng_vdwl += my_eng;