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kumaranu
/
ts-workflow-examples
This respository contains workflows to calculate transition state other relevant properties using QuAcc library.
https://kumaranu.github.io/ts-workflow-examples/
BSD 3-Clause "New" or "Revised" License
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Bump jobflow-remote from 0.1.2 to 0.1.4
#9
dependabot[bot]
opened
2 months ago
0
Bump maggma from 0.68.6 to 0.69.4
#8
dependabot[bot]
opened
2 months ago
0
[Discussion] Can your TS workflow be used for PBC systems?
#7
QuantumMisaka
opened
2 months ago
1
Bump maggma from 0.68.6 to 0.69.3
#6
dependabot[bot]
closed
2 months ago
1
Update numpy requirement from <2.0 to <3.0
#5
dependabot[bot]
opened
4 months ago
0
Bump jobflow from 0.1.17 to 0.1.18
#4
dependabot[bot]
opened
4 months ago
0
Bump maggma from 0.68.6 to 0.69.1
#3
dependabot[bot]
closed
3 months ago
1
Fix atom indices
#2
ericyuan00000
closed
4 months ago
1
Bump numpy from 1.26.4 to 2.0.0
#1
dependabot[bot]
closed
4 months ago
2