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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed May 21, 2024
1 parent 0a8b228 commit 3bce171
Showing 1 changed file with 4 additions and 8 deletions.
12 changes: 4 additions & 8 deletions source/lmp/pair_deepmd.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -220,8 +220,7 @@ void PairDeepMD::make_fparam_from_compute(vector<double> &fparam) {
Compute *compute = modify->compute[icompute];

if (!compute) {
error->all(FLERR,
"compute id is not found: " + compute_fparam_id);
error->all(FLERR, "compute id is not found: " + compute_fparam_id);

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source/lmp/pair_deepmd.cpp#L223

Added line #L223 was not covered by tests
}
fparam.resize(dim_fparam);

Expand Down Expand Up @@ -250,8 +249,7 @@ void PairDeepMD::make_aparam_from_compute(vector<double> &aparam) {
Compute *compute = modify->compute[icompute];

if (!compute) {
error->all(FLERR,
"compute id is not found: " + compute_aparam_id);
error->all(FLERR, "compute id is not found: " + compute_aparam_id);

Check warning on line 252 in source/lmp/pair_deepmd.cpp

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source/lmp/pair_deepmd.cpp#L252

Added line #L252 was not covered by tests
}
int nlocal = atom->nlocal;
aparam.resize(static_cast<size_t>(dim_aparam) * nlocal);
Expand Down Expand Up @@ -284,8 +282,7 @@ void PairDeepMD::make_ttm_fparam(vector<double> &fparam) {
}
}
if (!ttm_fix) {
error->all(FLERR,
"fix ttm id is not found: " + ttm_fix_id);
error->all(FLERR, "fix ttm id is not found: " + ttm_fix_id);

Check warning on line 285 in source/lmp/pair_deepmd.cpp

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source/lmp/pair_deepmd.cpp#L285

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}

fparam.resize(dim_fparam);
Expand Down Expand Up @@ -326,8 +323,7 @@ void PairDeepMD::make_ttm_aparam(vector<double> &daparam) {
}
}
if (!ttm_fix) {
error->all(FLERR,
"fix ttm id is not found: " + ttm_fix_id);
error->all(FLERR, "fix ttm id is not found: " + ttm_fix_id);

Check warning on line 326 in source/lmp/pair_deepmd.cpp

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source/lmp/pair_deepmd.cpp#L326

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}
// modify
double **x = atom->x;
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