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[Feature Request]: Make OpenBabel optional for molecule metadata
#1149
opened Nov 29, 2024 by
Andrew-S-Rosen
2
[Feature Request]: Store the number of electronic steps taken per ionic step
enhancement
#1065
opened Jul 31, 2024 by
Andrew-S-Rosen
Bug: The
.as_dict()
method on CrystalSystem
is not Monty compatible
#914
opened Dec 23, 2023 by
Andrew-S-Rosen
[Feature Request]: Better handling of parsed trajectory in VASP calculations
#872
opened Oct 26, 2023 by
gpetretto
Changing Elasticity builder to identify deformation calcs *not* using calc_type
#822
opened Sep 1, 2023 by
matthewkuner
task_type
incorrectly identifies NSCF Line calcs as Uniform calcs
#800
opened Aug 3, 2023 by
matthewkuner
[DISCUSSION] Validating INCAR parameters for external VASP calculations
discussion
New feature discussions
#772
opened Jul 6, 2023 by
matthewkuner
SymmetryData
for structures is missing a few pydantic field descriptions
#734
opened May 19, 2023 by
Andrew-S-Rosen
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