kul-group / kultools

kul-group/kultools Issues

Add NEB analysis
Updated a year ago
Add NEB interpolation and run
Updated a year ago
Need to include update vasp_params function to allow you to overwrite a single parameter
Updated a year ago
kt analyze timings
Updated a year ago
Split kul_tools.py into multiple scripts based on folder layout. Everything needs to be called in main kT script.
Updated 3 years ago
Prepare Rough layout of the github repo for KT
Updated 3 years ago1
Separate vasp/hpc settings from calculation types
Updated 3 years ago
MD module needs to be updated
Updated 3 years ago