compchem-cybertraining / Tutorials_CP2KLinks
Tutorials on CP2K calculations
☆57Updated 3 years ago
Alternatives and similar repositories for Tutorials_CP2K
Users that are interested in Tutorials_CP2K are comparing it to the libraries listed below
Sorting:
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Updated 6 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆71Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 7 months ago
- ☆62Updated 10 months ago
- ☆45Updated 5 years ago