Joja

alpha

Monte Carlo calculation of the Helmholtz free energy

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Description

Monte Carlo calculation of the Helmholtz free energy of molecular crystals.

At the moment the code available for downloading calculates the free energy of sII clathrate filled with hydrogen molecules in the small cages and with 1,3-dioxolane (C3H6O2) molecules in the large cages.

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Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

Fortran

Registered

2011-12-06
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