moebiusband/MD-Bench
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Explicitly set half_neigh to zero on stubbed versions

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-12-14 17:21:09 +01:00
parent 292138b270
commit 15d43dcce5
2 changed files with 2 additions and 0 deletions
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1
gromacs/main-stub.c
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@@ -49,6 +49,7 @@ void init(Parameter *param) {
param->cutforce = 1000000.0; param->cutforce = 1000000.0;
param->cutneigh = param->cutforce; param->cutneigh = param->cutforce;
param->mass = 1.0; param->mass = 1.0;
param->half_neigh = 0;
// Unused // Unused
param->dt = 0.005; param->dt = 0.005;
param->dtforce = 0.5 * param->dt; param->dtforce = 0.5 * param->dt;

1
lammps/main-stub.c
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@@ -48,6 +48,7 @@ void init(Parameter *param) {
param->cutforce = 1000000.0; param->cutforce = 1000000.0;
param->cutneigh = param->cutforce; param->cutneigh = param->cutforce;
param->mass = 1.0; param->mass = 1.0;
param->half_neigh = 0;
// Unused // Unused
param->dt = 0.005; param->dt = 0.005;
param->dtforce = 0.5 * param->dt; param->dtforce = 0.5 * param->dt;