moebiusband/MD-Bench
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♻️ Fixing refactoring step

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This commit is contained in:
Martin Bauernfeind
2022-06-23 19:32:09 +02:00
parent 62cfc22856
commit 7f068a6959
2 changed files with 12 additions and 12 deletions
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4
src/main.c
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@@ -310,7 +310,7 @@ int main(int argc, char** argv)
const bool doReneighbour = (n + 1) % param.every == 0;
cuda_initial_integrate(doReneighbour, &param, &atom);
cuda_initial_integrate(doReneighbour, &param, &atom, &c_atom);
if(doReneighbour) {
timer[NEIGH] += reneighbour(&param, &atom, &neighbor);
@@ -328,7 +328,7 @@ int main(int argc, char** argv)
#endif
}
cuda_final_integrate(doReneighbour, &param, &atom);
cuda_final_integrate(doReneighbour, &param, &atom, &c_atom);
if(!((n + 1) % param.nstat) && (n+1) < param.ntimes) {
computeThermo(n + 1, &param, &atom);