Code supporting "Tunneling-splittings from path-integral molecular dynamics using a Langevin thermostat"
Repository URI
Repository DOI
Change log
Authors
Vaillant, CLJ
Description
Fortran 90 software to calculate tunneling splittings of molecules using Path Integral Molecular Dynamics (PIMD).
Version
Software / Usage instructions
A README file is included in the zip file that gives additional information on the usage, as well as references. A development version is available on the associated github page.
Keywords
molecular physics, tunneling splittings, quantum dynamics, water dimer, malonaldehyde
Publisher
Rights
Sponsorship
Engineering and Physical Sciences Research Council (EP/L010518/1)