10 lines
498 B
Plaintext
10 lines
498 B
Plaintext
LIBEFP is a full implementation of the Effective Fragment Potential (EFP)
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method (EFP can be viewed as an advanced first-principles-based force-field,
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see Kaliman et al., JCC, 2013). LIBEFP facilitates extension of unique
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electronic structure methodologies designed for accurate simulations in the
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gas phase to condensed phases via QM/EFP. LIBEFP is designed to give developers
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of quantum chemistry software an easy way to add EFP support to their favourite
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package.
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WWW: https://libefp.github.io
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