search

nomad-coe / electronic-parsers

Apache License 2.0
18 stars 7 forks source link

VASP 6 format: fix atom positions #152

Open ndaelman-hu opened 1 year ago

ndaelman-hu commented 1 year ago

The atom positions are not being properly extracted from the OUTCAR, leading to the error on line 197 in nomad/normalizing/system.py being triggered.

Same example as in #148