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Release 2016
MCFF Optimizer: Monte Carlo force field parameter optimizer
Input files
Control parameters
Results
Run-time control
Grand Canonical Monte Carlo (GCMC)
General info
Input
Output
Code Details
force-bias Monte Carlo (fbMC)
New features and fixes
ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order
Correction for torsion angles asymptotics
LG dispersion
ChemTraYzer
Included Forcefields
Included Forcefields (development)
Required Citations
General References
Features References
External programs and Libraries
ReaxFF
Documentation
/
ReaxFF
/
Grand Canonical Monte Carlo (GCMC)
Grand Canonical Monte Carlo (GCMC)
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General info
Input
Output
Code Details