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using int instead of size_t should be more efficient and range doesn't seem to be needed

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Axel Kohlmeyer
2019-02-13 07:29:26 -05:00
parent 76533b1572
commit cf86334f43
1 changed files with 6 additions and 6 deletions
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12
src/USER-MISC/pair_extep.cpp
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@ -1075,10 +1075,10 @@ void PairExTeP::costheta_d(double *rij_hat, double rij,
// initialize spline for F_corr (based on PairLCBOP::F_conj)
void PairExTeP::spline_init() {
for ( size_t iel=0; iel<atom->ntypes; iel++) {
for ( size_t jel=0; jel<atom->ntypes; jel++) {
for ( size_t N_ij=0; N_ij<4; N_ij++ ) {
for ( size_t N_ji=0; N_ji<4; N_ji++ ) {
for ( int iel=0; iel<atom->ntypes; iel++) {
for ( int jel=0; jel<atom->ntypes; jel++) {
for ( int N_ij=0; N_ij<4; N_ij++ ) {
for ( int N_ji=0; N_ji<4; N_ji++ ) {
TF_corr_param &f = F_corr_param[iel][jel][N_ij][N_ji];
// corner points for each spline function
@ -1150,8 +1150,8 @@ double PairExTeP::F_corr(int iel, int jel, double Ndij, double Ndji, double *dFN
// compute F_XY
size_t Ndij_int = static_cast<size_t>( floor( Ndij ) );
size_t Ndji_int = static_cast<size_t>( floor( Ndji ) );
int Ndij_int = static_cast<int>( floor( Ndij ) );
int Ndji_int = static_cast<int>( floor( Ndji ) );
double x = Ndij - Ndij_int;
double y = Ndji - Ndji_int;
TF_corr_param &f = F_corr_param[iel][jel][Ndij_int][Ndji_int];