materialsproject emmet issues

materialsproject / emmet

Be a master builder of databases of material properties. Avoid the Kragle.

https://materialsproject.github.io/emmet/

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issues

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Replace relocated `GrainBoundary` import

#1122 DanielYang59 closed 1 day ago
2
Remove deprecated Extra.allow from document models

#1121 tsmathis closed 3 days ago
1
Automated dependency upgrades

#1120 tschaume opened 3 days ago
1
`pydantic.config.Extra` is deprecated, use literal values instead (e.g. `extra='allow'`)

#1119 DanielYang59 closed 3 days ago
2
Improve error handling in `SymmetryData`

#1118 mkhorton closed 2 days ago
6
update elasticity builder asserts

#1117 tsmathis closed 6 days ago
1
add completed_at field (+run_stats) to TaskDoc as root fields

#1116 tsmathis closed 1 week ago
9
Automated dependency upgrades

#1115 tschaume closed 1 week ago
1
Automated dependency upgrades

#1114 tschaume closed 1 week ago
1
Automated dependency upgrades

#1113 tschaume closed 1 week ago
0
update "R2SCAN" to "r2SCAN" to match enum convention

#1112 tsmathis closed 1 week ago
1
Automated dependency upgrades

#1111 tschaume closed 1 week ago
1
Change name of interchange_meta -> mol_specs and add structure to MDTaskDocument

#1110 orionarcher closed 1 week ago
3
Automated dependency upgrades

#1109 tschaume closed 2 weeks ago
1
make calc type enums IgnoreCase

#1108 tsmathis closed 2 weeks ago
0
Automated dependency upgrades

#1107 tschaume closed 2 weeks ago
1
Reverting MPCules PR #926

#1106 tschaume closed 2 weeks ago
1
Feat: Add run types for GW calculations

#1105 yanghan234 opened 2 weeks ago
4
Update enums actions

#1104 tsmathis closed 2 weeks ago
1
Replace | with Union in OpenMM flow

#1103 orionarcher closed 2 weeks ago
0
Automated dependency upgrades

#1102 tschaume closed 2 weeks ago
1
VASP `RunType` is missing `PBE_64`/`LDA_64`

#1101 janosh opened 2 weeks ago
3
Automated dependency upgrades

#1100 tschaume closed 2 weeks ago
0
[Aborted] Feat: Add run types for GW calculations

#1099 yanghan234 closed 2 weeks ago
0
Refactor VASP and QChem Enums

#1098 esoteric-ephemera closed 2 weeks ago
2
force dynamic enum generation for emmet-core

#1097 tsmathis closed 3 weeks ago
1
Automated dependency upgrades

#1096 tschaume closed 3 weeks ago
1
Generate enums in Github Actions

#1095 tschaume closed 2 weeks ago
5
Update typing in EmmetSettings

#1094 tsmathis closed 3 weeks ago
2
linting for qchem

#1093 tsmathis closed 3 weeks ago
1
Qchem enums

#1092 tsmathis closed 3 weeks ago
1
fix logic bug in batch_id validatoin

#1091 tsmathis closed 3 weeks ago
1
Automated dependency upgrades

#1090 tschaume closed 3 weeks ago
1
[Bug]: Molecules calc types still trying to import missing enums

#1089 tsmathis closed 3 weeks ago
5
Builders for classical md workflows

#1088 orionarcher opened 4 weeks ago
1
Refactor and small updates to OpenMM and OpenFF task documents

#1087 orionarcher closed 3 weeks ago
10
Automated dependency upgrades

#1086 tschaume closed 4 weeks ago
1
add missing mypy directives for electronic structure

#1085 tsmathis closed 4 weeks ago
1
Bump the pip group across 2 directories with 1 update

#1084 dependabot[bot] closed 4 weeks ago
0
Bump cryptography from 42.0.4 to 43.0.1 in /emmet-builders/requirements in the pip group across 1 directory

#1083 dependabot[bot] closed 4 weeks ago
0
Automated dependency upgrades

#1082 tschaume closed 1 month ago
1
[Bug]: Hitting Tab or Enter to pop-up suggestion does nothing if HTML tag started with less-than character (<)

#1081 davehodls closed 1 month ago
1
Automated dependency upgrades

#1080 tschaume closed 1 month ago
1
Automated dependency upgrades

#1079 tschaume closed 1 month ago
1
Automated dependency upgrades

#1078 tschaume closed 1 month ago
1
uvicorn was moved into an optional import in maggma

#1077 tsmathis closed 1 month ago
0
Add convenience util func for generating robocrys descriptions

#1076 tsmathis closed 3 weeks ago
8
Further bug fix for legacy task documents with no `calcs_reversed` field

#1075 esoteric-ephemera closed 1 month ago
1
add checks for TaskDoc's `model_post_init`

#1074 tschaume closed 1 month ago
1
Configure query on request

#1073 yang-ruoxi opened 1 month ago
2