I've found two bugs in neb code
1) In tsase/neb/util.py vproj(v1,v2) it has to divide by the square of the modulus of v2 ,
but currently it divides by the modulus of v2. A patch to fix that bug (just changing vmag to vmag2) is:
[code]
diff a/tsase/neb/util.py b/tsase/neb/util.py
--- a/tsase/neb ...
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- Mon Apr 01, 2019 2:00 pm
- Forum: tsase
- Topic: bugs in neb code
- Replies: 2
- Views: 62171