module
Version:
v0.0.0-...-5d979b2
Opens a new window with list of versions in this module.
Published: Aug 3, 2022
License: AGPL-3.0
Opens a new window with license information.
README
¶
FEP methods on Ising models
Compute free energy difference between ferromagnet (J>0) and anti-ferromagnet (J<0).
$$
E = -J\sum_{<i,j>}S_i S_j - H \sum_i S_i
$$
plan
- sample 1 ensemble
- ferromagnetic and anti-ferromagnetic
- another choice of J, say J=0 and H=0
- sample 2 ensembles, then process with BAR
- sample more than 2 ensembles
commands
- sample-ising:
- analyze-ensemble: get averages and standard deviations from an ensemble
TODO
Directories
¶
cmd
|
|
|
|
|
|
Package magnets implements Ising spin models
|
Package magnets implements Ising spin models |
Click to show internal directories.
Click to hide internal directories.