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Update HDF5 filename for heavy observables.

This commit is contained in:
Fionn Malone 2019-10-08 10:13:49 -07:00
parent 052eae6f49
commit c6de55ec4a
2 changed files with 2 additions and 2 deletions
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2
examples/afqmc/06-methane_converge_back_prop/check_h1e_conv.py
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@ -56,4 +56,4 @@ def plot_convergence(filename):
plt.savefig('h1e_conv.pdf', fmt='pdf', bbox_inches='tight')
if __name__ == '__main__':
plot_convergence('qmc.s000.scalar.h5')
plot_convergence('qmc.s000.stat.h5')

2
src/AFQMC/Estimators/EstimatorHandler.h
View File

@ -157,7 +157,7 @@ class EstimatorHandler: public AFQMCInfo
//out.open(filename.c_str(),std::ios_base::app | std::ios_base::out);
std::string filename = project_title+".scalar.dat";
if(hdf_output) {
hdf_file = project_title+".scalar.h5";
hdf_file = project_title+".stat.h5";
if(!dump.create(hdf_file)) {
app_log()<<"Problems opening estimator hdf5 output file: " << hdf_file <<std::endl;
APP_ABORT("Problems opening estimator hdf5 output file.\n");