Metropolis-Hastings Monte Carlo

MolSSI-Education / MM_2017_SSS_Team2

BSD 3-Clause "New" or "Revised" License

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Metropolis-Hastings Monte Carlo #22

Open cgseitz opened 7 years ago

dibyendu92 commented 7 years ago

Somehow I cant add a new wiki page in our upstream, does it same for everyone? Please comment, if not at least check my origin wiki page, I have a site link for total energy function checking .

dibyendu92 commented 7 years ago

I want to start the new project, @vpasumarthi can you finish the MC part. Remember that for total energy if you can match the results from the link I mentioned above, then your total (get_molecule_energy) should be 2*total_pair_energy. Please comment guys..