Ecosyste.ms: Issues

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GitHub / kul-group/kultools issues and pull requests

#20 - added functionalty to specify the signal to handle

Pull Request - State: closed - Opened by R1j1t 9 months ago

#19 - removed unused imports

Pull Request - State: closed - Opened by R1j1t 10 months ago

#18 - prepared for release

Pull Request - State: closed - Opened by R1j1t about 1 year ago

#17 - Added checkpointing code

Pull Request - State: closed - Opened by R1j1t about 1 year ago

#16 - Add NEB analysis

Issue - State: open - Opened by R1j1t over 1 year ago

#15 - Add NEB interpolation and run

Issue - State: open - Opened by R1j1t over 1 year ago
Labels: enhancement

#13 - kt analyze timings

Issue - State: open - Opened by R1j1t over 1 year ago
Labels: enhancement

#12 - release 0.1 on pip

Pull Request - State: closed - Opened by R1j1t over 1 year ago

#11 - Feature/package

Pull Request - State: closed - Opened by R1j1t over 1 year ago

#10 - Added NMR analysis

Pull Request - State: closed - Opened by R1j1t over 1 year ago

#9 - added tagging utils to kultools

Pull Request - State: closed - Opened by R1j1t almost 2 years ago

#8 - feature: vibrational analysis

Pull Request - State: closed - Opened by R1j1t almost 2 years ago
Labels: enhancement

#6 - analysis folder

Pull Request - State: open - Opened by tdprice-858 almost 3 years ago

#5 - Prepare Rough layout of the github repo for KT

Issue - State: open - Opened by saurabhsivakumar almost 3 years ago - 1 comment
Labels: documentation, enhancement

#4 - Separate vasp/hpc settings from calculation types

Issue - State: open - Opened by ark245 over 3 years ago

#3 - MD module needs to be updated

Issue - State: open - Opened by ark245 over 3 years ago

#2 - updated gitignore

Pull Request - State: closed - Opened by JiaweiGuo-0313 over 3 years ago

#1 - Fixes and readme

Pull Request - State: closed - Opened by DexterAntonio over 3 years ago