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FAIRmat-NFDI
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nomad-neb-workflows
A NOMAD plugin containing the section definitions of a standard Nudged Elastic Band (NEB) workflow.
Apache License 2.0
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4 add catalysis neb test data set
#7
schumannj
opened
2 months ago
0
Redefinition NEB workflow
#6
JosePizarro3
opened
2 months ago
3
Redefinition NEB workflow
#5
JosePizarro3
opened
2 months ago
4
Add Catalysis neb data set
#4
schumannj
opened
2 months ago
0
Energy diffs extraction
#2
JosePizarro3
closed
2 months ago
2
Adding testing
#1
JosePizarro3
closed
2 months ago
5