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fix whitespace issues

This commit is contained in:
Axel Kohlmeyer 2020-06-09 15:14:49 -04:00
parent ecc142229d
commit 1221906ed9
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1 changed files with 7 additions and 7 deletions
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14
src/USER-MISC/fix_orient_eco.cpp
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@ -350,15 +350,15 @@ void FixOrientECO::post_force(int /* vflag */) {
if (u_0 != 0.0) {
// communicate to acquire nbr data for ghost atoms
comm->forward_comm_fix(this);
// loop over all atoms
for (ii = 0; ii < inum; ++ii) {
i = ilist[ii];
jlist = firstneigh[i];
jnum = numneigh[i];
const bool no_boundary_atom = (nbr[i].duchi == 0.0);
// skip atoms not in group
if (!(mask[i] & groupbit)) continue;
@ -378,16 +378,16 @@ void FixOrientECO::post_force(int /* vflag */) {
for (jj = 0; jj < jnum; ++jj) {
j = jlist[jj];
j &= NEIGHMASK;
// do not compute force on atom i if it is far from boundary
if ((nbr[j].duchi == 0.0) && no_boundary_atom) continue;
// vector difference
dx = x[i][0] - x[j][0];
dy = x[i][1] - x[j][1];
dz = x[i][2] - x[j][2];
squared_distance = dx * dx + dy * dy + dz * dz;
if (squared_distance < squared_cutoff) {
// compute force on atom i
// need weight and its gradient
@ -397,7 +397,7 @@ void FixOrientECO::post_force(int /* vflag */) {
weight_gradient[0] = weight_gradient_prefactor * dx;
weight_gradient[1] = weight_gradient_prefactor * dy;
weight_gradient[2] = weight_gradient_prefactor * dz;
// (1) compute scalar product and sine and cosine of it
// (2) compute product of sine and cosine with gradient of weight function
// (3) compute gradient_ii_cos and gradient_ii_sin by summing up result of (2)