The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations of atomic and molecular systems.
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Changes to include metropolis move dritf vmc and kofk #284
This commit include new features and functionalities: a new metropolis move witht drift for vmc and the computation of the structure factor S(k) observable for periodic systems. This was done in collaboration with @saveriomoroni and @filippi-claudia.
This commit include new features and functionalities: a new metropolis move witht drift for vmc and the computation of the structure factor S(k) observable for periodic systems. This was done in collaboration with @saveriomoroni and @filippi-claudia.