NOTE: The thermodynamic integration procedure can be performed with this potential using "fix adapt"_fix_adapt.html. This command will rescale the force on each atom by varying a scale variable, which always starts with value 1.0. The syntax is the same described above, however, changing epsilon to scale. A detailed explanation of how to use this command and perform nonequilibrium thermodynamic integration in LAMMPS is given in the paper by "(Freitas)"_#Freitas.
NOTE: The thermodynamic integration procedure can be performed with this potential using "fix adapt"_fix_adapt.html. This command will rescale the force on each atom by varying a scale variable, which always starts with value 1.0. The syntax is the same described above, however, changing epsilon to scale. A detailed explanation of how to use this command and perform nonequilibrium thermodynamic integration in LAMMPS is given in the paper by "(Freitas)"_#Freitas2.
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@@ -131,5 +131,5 @@ This pair style can only be used via the {pair} keyword of the
[(Paula Leite2016)] Paula Leite , Freitas, Azevedo, and de Koning, J Chem Phys, 126,
044509 (2016).
:link(Freitas)
[(Freitas)] Freitas, Asta, and de Koning, Computational Materials Science, 112, 333 (2016).
\ No newline at end of file
:link(Freitas2)
[(Freitas)] Freitas, Asta, and de Koning, Computational Materials Science, 112, 333 (2016).