Understanding And Improving The Efficiency Of Full Configuration Interaction Quantum Monte Carlo

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.