ICODE-ADC/lammps
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remove unused variables

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This commit is contained in:
Axel Kohlmeyer
2024-05-13 13:49:59 -04:00
parent d0f8d9eeb1
commit 4e7bddaa0b
3 changed files with 1 additions and 5 deletions
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2
src/EXTRA-FIX/fix_deform_pressure.cpp
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@ -438,8 +438,6 @@ void FixDeformPressure::init()
// error if style PRESSURE/ERATEER for yz, can't calculate if box flip occurs // error if style PRESSURE/ERATEER for yz, can't calculate if box flip occurs
if (set[3].style && set[5].style) { if (set[3].style && set[5].style) {
int flag = 0;
double lo,hi;
if (flipflag && set[3].style == PRESSURE) if (flipflag && set[3].style == PRESSURE)
error->all(FLERR, "Fix {} cannot use yz pressure with xy", style); error->all(FLERR, "Fix {} cannot use yz pressure with xy", style);
if (flipflag && set[3].style == ERATERS) if (flipflag && set[3].style == ERATERS)

2
src/ML-IAP/mliap_unified.cpp
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@ -246,7 +246,6 @@ void LAMMPS_NS::update_pair_energy(MLIAPData *data, double *eij)
{ {
double e_total = 0.0; double e_total = 0.0;
const auto nlistatoms = data->nlistatoms; const auto nlistatoms = data->nlistatoms;
const auto nlocal = data->nlocal;
for (int ii = 0; ii < nlistatoms; ii++) data->eatoms[ii] = 0; for (int ii = 0; ii < nlistatoms; ii++) data->eatoms[ii] = 0;
for (int ii = 0; ii < data->npairs; ii++) { for (int ii = 0; ii < data->npairs; ii++) {
@ -268,7 +267,6 @@ void LAMMPS_NS::update_pair_forces(MLIAPData *data, double *fij)
{ {
//Bugfix: need to account for Null atoms in local atoms //Bugfix: need to account for Null atoms in local atoms
//const auto nlistatoms = data->nlistatoms; //const auto nlistatoms = data->nlistatoms;
const auto nlocal = data->nlocal;
double **f = data->f; double **f = data->f;
for (int ii = 0; ii < data->npairs; ii++) { for (int ii = 0; ii < data->npairs; ii++) {
int ii3 = ii * 3; int ii3 = ii * 3;

2
src/create_atoms.cpp
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@ -1505,7 +1505,7 @@ void CreateAtoms::get_xmol(double *center)
onemol->quat_external = quatone; onemol->quat_external = quatone;
int n, natoms = onemol->natoms; int natoms = onemol->natoms;
double xnew[3]; double xnew[3];
for (int m = 0; m < natoms; m++) { for (int m = 0; m < natoms; m++) {
MathExtra::matvec(rotmat, onemol->dx[m], xnew); MathExtra::matvec(rotmat, onemol->dx[m], xnew);