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Understanding and Improving the Efficiency of Full Configuration Interaction Quantum Monte Carlo

DOI: https://doi.org/10.5281/zenodo.45831
Title: Understanding and Improving the Efficiency of Full Configuration Interaction Quantum Monte Carlo
Authors: Vigor, W
Spencer, J
Bearpark, M
Thom, A
Item Type: Dataset
Abstract: Data and Python Scripts required to produce the figures in: Understanding and Improving the Efficiency of Full Configuration Interaction Quantum Monte Carlo http://arxiv.org/abs/1601.00865 Reanaylisis requires pyhande (part of the HANDE package) available from: https://github.com/hande-qmc/hande.git To reproduce the figures by reanalysing the data from scratch modify sys.path.append() in ./bin/Efficiency.py and in ./figure4/figure4.py. To point to hande_top_level_dir/tools.
Data and Python Scripts required to produce the figures in: Understanding and Improving the Efficiency of Full Configuration Interaction Quantum Monte Carlo http://arxiv.org/abs/1601.00865 Reanaylisis requires pyhande (part of the HANDE package) available from: https://github.com/hande-qmc/hande.git To reproduce the figures by reanalysing the data from scratch modify sys.path.append() in ./bin/Efficiency.py and in ./figure4/figure4.py. To point to hande_top_level_dir/tools.
Issue Date: 9-Feb-2016
URI: http://hdl.handle.net/10044/1/78074
DOI: https://doi.org/10.5281/zenodo.45831
Copyright Statement: http://creativecommons.org/licenses/by-sa/4.0/legalcode
Keywords: Full Configuration Interaction Quantum Monte Carlo
Appears in Collections:Faculty of Natural Sciences - Research Data