anharmonicity

There are 7 repositories under anharmonicity topic.

abelcarreras/DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
Language:Python113 19 2751
anharmonic/d3q
D3Q + thermal2
Language:Fortran22 3 713
MineralsCloud/pgm
Calculate thermodynamic properties of matter using phonon gas model (PGM)
Language:Python12 2 23
lmmentel/panthera
Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.
Language:Python5 3 01
yagikiyoshi/sindo
A suite of programs for molecular vibrational analyses
Language:HTML5 2 01
glensk/Local-Anharmonic-MD
Local anharmonic molecular dynamics (MD). A script written in C that performs MD using the Local Anharmonic approximation.
Language:C2 1 00
shihchengli/APE
APE - Automated Property Estimator
Language:Python1 1 02