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lammps/src/USER-YAFF
Eisuke Kawashima 649a8cc01a Fix typo
2020-03-14 13:57:48 +09:00
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2020-03-14 13:57:48 +09:00
2020-03-12 16:53:24 +09:00

This package implements the styles that are needed to use typical force fields
generated by QuickFF for the simulation of metal-organic frameworks. The
QuickFF methodology is detailed in following papers:
    Vanduyfhuys et al., J. Comput. Chem., 36 (13), 1015-1027 (2015) https://doi.org/10.1002/jcc.23877
    Vanduyfhuys et al., J. Comput. Chem., 39 (16), 999-1011 (2018) https://doi.org/10.1002/jcc.25173
The corresponding software package can be found on http://molmod.github.io/QuickFF