ICODE-ADC/lammps
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clang-format and removed more unused variables

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This commit is contained in:
Olav Galteland
2022-06-02 18:34:48 +02:00
parent 954700dea5
commit fc468accf5
1 changed files with 3 additions and 12 deletions
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15
src/EXTRA-COMPUTE/compute_stress_cartesian.cpp
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@ -136,9 +136,6 @@ ComputeStressCartesian::ComputeStressCartesian(LAMMPS *lmp, int narg, char **arg
size_array_cols = 7 + dims; // dir1, dir2, number density, pkxx, pkyy, pkzz, pcxx, pcyy, pczz
size_array_rows = nbins1 * nbins2;
memory->create(v0x, nbins1 * nbins2, "v0x");
memory->create(v0y, nbins1 * nbins2, "v0y");
memory->create(v0z, nbins1 * nbins2, "v0z");
memory->create(dens, nbins1 * nbins2, "dens");
memory->create(pkxx, nbins1 * nbins2, "pkxx");
memory->create(pkyy, nbins1 * nbins2, "pkyy");
@ -161,9 +158,6 @@ ComputeStressCartesian::ComputeStressCartesian(LAMMPS *lmp, int narg, char **arg
ComputeStressCartesian::~ComputeStressCartesian()
{
memory->destroy(dens);
memory->destroy(v0x);
memory->destroy(v0y);
memory->destroy(v0z);
memory->destroy(pkxx);
memory->destroy(pkyy);
memory->destroy(pkzz);
@ -240,9 +234,6 @@ void ComputeStressCartesian::compute_array()
// Zero arrays
for (bin = 0; bin < nbins1 * nbins2; bin++) {
tdens[bin] = 0;
v0x[bin] = 0;
v0y[bin] = 0;
v0z[bin] = 0;
tpkxx[bin] = 0;
tpkyy[bin] = 0;
tpkzz[bin] = 0;
@ -259,9 +250,9 @@ void ComputeStressCartesian::compute_array()
j = bin1 + bin2 * nbins1;
tdens[j] += 1;
tpkxx[j] += mass[type[i]] * (v[i][0]-v0x[j]) * (v[i][0]-v0x[j]);
tpkyy[j] += mass[type[i]] * (v[i][1]-v0y[j]) * (v[i][1]-v0y[j]);
tpkzz[j] += mass[type[i]] * (v[i][2]-v0z[j]) * (v[i][2]-v0z[j]);
tpkxx[j] += mass[type[i]] * v[i][0] * v[i][0];
tpkyy[j] += mass[type[i]] * v[i][1] * v[i][1];
tpkzz[j] += mass[type[i]] * v[i][2] * v[i][2];
}
// loop over neighbors of my atoms