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Ulf R. Pedersen
2017-09-25 18:48:21 +02:00
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examples/USER/pinning/readme.md
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This package contains a bias potential that can be used to study solid-liquid transitions with the interface pinning method.
This is done by adding a harmonic potential to the Hamiltonian that bias the system towards two-phase configurations.
This example demonstrate using a bias potential that can be used to study solid-liquid transitions with the interface pinning method. This is done by adding a harmonic potential to the Hamiltonian that bias the system towards two-phase configurations.
U_bias = 0.5*k*(Q-a)^2
@ -13,10 +12,6 @@ Please visit
urp.dk/interface_pinning.htm
for a detailed bibliography.
# Build
Remember to include the following command when building LAMMPS
make yes-user-pinning
# Use
fix [name] [groupID] rhok [nx] [ny] [nz] [spring-constant] [anchor-point]
@ -52,7 +47,3 @@ That method have been experienced to be most effective in the slightly super-hea
Ulf R. Pedersen
http://www.urp.dk
ulf AT urp.dk
# Cite
Please cite
[Ulf R. Pedersen, J. Chem. Phys. 139, 104102 (2013)]