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Add NEB analysis

Status: Open.

#16 In kul-group/kultools;

· R1j1t opened on Aug 4, 2023

Add NEB interpolation and run

enhancementNew feature or requestNew feature or request

Status: Open.

#15 In kul-group/kultools;

· R1j1t opened on Aug 4, 2023

Need to include update vasp_params function to allow you to overwrite a single parameter

Status: Open.

#14 In kul-group/kultools;

· tdprice-858 opened on Aug 2, 2023

kt analyze timings

enhancementNew feature or requestNew feature or request

Status: Open.

#13 In kul-group/kultools;

· R1j1t opened on Jul 17, 2023

Split kul_tools.py into multiple scripts based on folder layout. Everything needs to be called in main kT script.

Status: Open.

#7 In kul-group/kultools;

· tdprice-858 opened on Jan 21, 2022

Prepare Rough layout of the github repo for KT

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

Status: Open.

#5 In kul-group/kultools;

· saurabhsivakumar opened on Jan 21, 2022

Separate vasp/hpc settings from calculation types

Status: Open.

#4 In kul-group/kultools;

· ark245 opened on Apr 23, 2021

MD module needs to be updated

Status: Open.

#3 In kul-group/kultools;

· ark245 opened on Apr 23, 2021