Aidan Chapman's repositories
dummify
This package adds virutual massless atoms. Currently aimed at tip4p water models, really only with TIP4P/2005 parameters as well, flexibility for other 4 body water models is getting there
Language:Python000
lammps
Public development project of the LAMMPS MD software package
Language:C++GPL-2.0000
multipole-parakeet
A MD Analysis Class for calculating the charge, dipole and quadrapole density distributions
Language:Python000
product_index
Convert a cartesian product index into the N indices of the original arrays
Language:RustMIT000
thermotar
For importing and generating some LAMMPS and GROMACS files types, with a light bit of analysing too
Language:PythonMIT000
TSEOS
TwoState Equation of State for tip4p05, implementing the one by Biddle et.al. (http://arxiv.org/abs/1611.00443v5)
Language:Jupyter Notebook000