forked from lijiext/lammps
14 lines
622 B
Plaintext
14 lines
622 B
Plaintext
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Disclaimer: Using these force fields for systems they
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have not been explicitly trained against may produce
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unrealistic results. Please see the README file in
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each subdirectory for more detailed information.
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F/C/H
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The follow information is reproduced from:
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"C_F_H (Fluorographene): Sandeep Kumar Singh, S. Goverapet Srinivasan, M. Neek-Amal, S. Costamagna, Adri C. T. van Duin, and F. M. Peeters Phys. Rev. B 87, 104114 (2013)."
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- The ReaxFF force field parameters have been fit
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to a large quantum mechanics (QM) training set containing
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monolayer of fluorographene at various temperature.
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