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This commit is contained in:
Axel Kohlmeyer
2022-08-23 14:27:03 -04:00
parent 61d50988b1
commit 4edf29103e
1 changed files with 2 additions and 2 deletions
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src/MEAM/meam_setup_done.cpp
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@ -485,8 +485,8 @@ double MEAM::phi_meam(double r, int a, int b)
phi_m = (5 * Eu - F1 - 4*F2)/4;
} else if (this->lattce_meam[a][b] == ZIG){
if (a==b){
} else if (this->lattce_meam[a][b] == ZIG) {
if (a==b) {
phi_m = (2 * Eu - F1 - F2) / Z12;
} else{
Z1 = get_Zij(this->lattce_meam[a][b]);