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Contents
Contents
GMIN User Guide
David J. Wales
Date:
Last updated April 25, 2024
[0]Contentscontents
Contents
Introduction
Installation
History
Basin-Sampling using
HISTOGRAM
and
TETHER
Optimisation with a Genetic Algorithm
The
data
file
Angular Steps
Some Recognised Systems
Binary Lennard-Jones
BLN Off-Lattice Protein Model
Diatomics-in-Molecules
DFT-based tight-binding
LB2
Farkas
Lennard-Jones
Morse
P46
Stillinger-Weber Si
Sutton-Chen
Tight-binding
TIP
n
P Water
Tosi-Fumi
Welch
SANDBOX
input and output
rbdata
Molecule setup
Interaction matrix
Potentials
LJ
Coulomb
Dipole
Morse
Paramonov-Yaliraki
Example
rbdata
files
Normal LJ
Binary LJ
LWOTP
TIP4P
Stockmayer
Output visualization
Example
data
Files
Bibliography
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