From c6de55ec4ae4ac42223976ecdea1843594a4110e Mon Sep 17 00:00:00 2001 From: Fionn Malone Date: Tue, 8 Oct 2019 10:13:49 -0700 Subject: [PATCH] Update HDF5 filename for heavy observables. --- examples/afqmc/06-methane_converge_back_prop/check_h1e_conv.py | 2 +- src/AFQMC/Estimators/EstimatorHandler.h | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/afqmc/06-methane_converge_back_prop/check_h1e_conv.py b/examples/afqmc/06-methane_converge_back_prop/check_h1e_conv.py index cc6565e1e..7709607bf 100644 --- a/examples/afqmc/06-methane_converge_back_prop/check_h1e_conv.py +++ b/examples/afqmc/06-methane_converge_back_prop/check_h1e_conv.py @@ -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') diff --git a/src/AFQMC/Estimators/EstimatorHandler.h b/src/AFQMC/Estimators/EstimatorHandler.h index c9cfddddf..af123c5e8 100644 --- a/src/AFQMC/Estimators/EstimatorHandler.h +++ b/src/AFQMC/Estimators/EstimatorHandler.h @@ -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 <