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move inline functions to the only place they are used. no need to use size_t for indices that are small

This commit is contained in:
Axel Kohlmeyer 2019-07-30 14:21:53 -04:00
parent 2d93a713e2
commit 47fc31d005
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GPG Key ID: D9B44E93BF0C375A
2 changed files with 16 additions and 16 deletions
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15
src/USER-MEAMC/meam.h
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@ -234,21 +234,6 @@ static inline bool iszero(const double f) {
return fabs(f) < 1e-20;
}
template <typename TYPE, size_t maxi, size_t maxj>
static inline void setall2d(TYPE (&arr)[maxi][maxj], const TYPE v) {
for (size_t i = 0; i < maxi; i++)
for (size_t j = 0; j < maxj; j++)
arr[i][j] = v;
}
template <typename TYPE, size_t maxi, size_t maxj, size_t maxk>
static inline void setall3d(TYPE (&arr)[maxi][maxj][maxk], const TYPE v) {
for (size_t i = 0; i < maxi; i++)
for (size_t j = 0; j < maxj; j++)
for (size_t k = 0; k < maxk; k++)
arr[i][j][k] = v;
}
// Helper functions
static inline double fdiv_zero(const double n, const double d) {

17
src/USER-MEAMC/meam_setup_global.cpp
View File

@ -2,6 +2,21 @@
#include <cmath>
using namespace LAMMPS_NS;
template <typename TYPE, int maxi, int maxj>
static inline void setall2d(TYPE (&arr)[maxi][maxj], const TYPE v) {
for (int i = 0; i < maxi; i++)
for (int j = 0; j < maxj; j++)
arr[i][j] = v;
}
template <typename TYPE, int maxi, int maxj, int maxk>
static inline void setall3d(TYPE (&arr)[maxi][maxj][maxk], const TYPE v) {
for (int i = 0; i < maxi; i++)
for (int j = 0; j < maxj; j++)
for (int k = 0; k < maxk; k++)
arr[i][j][k] = v;
}
void
MEAM::meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, double* /*atwt*/, double* alpha,
double* b0, double* b1, double* b2, double* b3, double* alat, double* esub,
@ -56,7 +71,7 @@ MEAM::meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, doub
setall2d(this->repuls_meam, 0.0);
setall3d(this->Cmax_meam, 2.8);
setall3d(this->Cmin_meam, 2.0);
setall2d(this->ebound_meam, pow(2.8, 2) / (4.0 * (2.8 - 1.0)));
setall2d(this->ebound_meam, (2.8*2.8) / (4.0 * (2.8 - 1.0)));
setall2d(this->delta_meam, 0.0);
setall2d(this->nn2_meam, 0);
setall2d(this->zbl_meam, 1);