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Merge pull request #276 from brucefan1983/sdc_bug
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Fixed a bug in sdc when num_atom*run_steps is too large
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erhart1 authored Sep 20, 2022
2 parents 087c411 + aa9cca4 commit 6df93ed
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/measure/sdc.cu
Original file line number Diff line number Diff line change
Expand Up @@ -194,7 +194,7 @@ void SDC::postprocess(const char* input_dir)
CHECK(cudaDeviceSynchronize()); // needed for pre-Pascal GPU

// normalize by the number of atoms and number of time origins
const double vac_scaler = 1.0 / (num_atoms_ * num_time_origins_);
const double vac_scaler = 1.0 / ((double)num_atoms_ * (double)num_time_origins_);
for (int nc = 0; nc < num_correlation_steps_; nc++) {
vacx_[nc] *= vac_scaler;
vacy_[nc] *= vac_scaler;
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