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Commit f1aea57e authored by Ulf R. Pedersen's avatar Ulf R. Pedersen Committed by GitHub
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Update 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 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.
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 U_bias = 0.5*k*(Q-a)^2
...@@ -13,10 +12,6 @@ Please visit ...@@ -13,10 +12,6 @@ Please visit
urp.dk/interface_pinning.htm urp.dk/interface_pinning.htm
for a detailed bibliography. for a detailed bibliography.
# Build
Remember to include the following command when building LAMMPS
make yes-user-pinning
# Use # Use
fix [name] [groupID] rhok [nx] [ny] [nz] [spring-constant] [anchor-point] 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 ...@@ -52,7 +47,3 @@ That method have been experienced to be most effective in the slightly super-hea
Ulf R. Pedersen Ulf R. Pedersen
http://www.urp.dk http://www.urp.dk
ulf AT urp.dk ulf AT urp.dk
# Cite
Please cite
[Ulf R. Pedersen, J. Chem. Phys. 139, 104102 (2013)]
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