Overview
This section covers the Galassi and Tildesly 1994 (Gala1994) force field as it is implemented into the towhee_ff_Gala1994 file in the ForceFields directory.
This force field was designed to reproduce the vapor-liquid coexistence curves of N2, F2, and Cl2.
Note that this is a Lennard-Jones force field that uses Lorentz-Berthelot mixing rules so it is easily combined with other force fields.
Any discrepencies (especially typos) from the published values are the sole responsibility of Marcus Martin,
and I welcome feedback on how this implementation compares with other programs.
References for Gala1994
What I term Gala1994 is described in the following paper.
Gala1994 in Towhee
The official force field name for Galassi and Tildesley 1994 in Towhee is 'Gala1994'.
This list contains all of the atom names for use in the towhee_input file, along with a brief description.
I created these atom names in order to work with the molecule assembler.
Please note that the capitalization and spacing pattern is important and must be followed exactly as listed here.
- 'Cl' : Chlorine bonded to another Chlorine in Cl2
- 'F' : Fluorine bonded to another Fluorine in F2
- 'N' : Nitrogen bonded to another nitrogen in N2
Coulombic interactions
This force field does not assign any coulombic interactions to the atoms.
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