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fix typo

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This commit is contained in:
Axel Kohlmeyer
2025-06-27 23:27:44 -04:00
parent 3ffe858a8b
commit 0c6ce8f23c
1 changed files with 1 additions and 1 deletions
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src/ML-IAP/mliap_descriptor_ace.cpp
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@ -213,7 +213,7 @@ void MLIAPDescriptorACE::compute_forces(class MLIAPData *data)
const double ztmp = x[i][2];
for (int jj = 0; jj < jnum; jj++) {
const int j = jlist[jj] & NEIGMASK;
const int j = jlist[jj] & NEIGHMASK;
for (int idim = 0; idim < 3; idim++) { fij[idim] = 0.0; }
for (int iicoeff = 0; iicoeff < ndescriptors; iicoeff++) {
DOUBLE_TYPE fx_dB =