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rename pv_from_md_maker back to pv_md_maker
testing #106: Commit 08a93a6 pushed by Tinaatucsd
February 2, 2024 04:44 3m 11s chgnet_updated_model
February 2, 2024 04:44 3m 11s
correct class name MDPVDataDoc
testing #105: Commit aae5b33 pushed by Tinaatucsd
February 2, 2024 04:38 3m 16s chgnet_updated_model
February 2, 2024 04:38 3m 16s
Optional is a type hint [] instead of ()
testing #104: Commit 60a0d80 pushed by Tinaatucsd
February 2, 2024 04:29 3m 19s chgnet_updated_model
February 2, 2024 04:29 3m 19s
update EquilibriumVolumeSearchMaker class ref. from
testing #103: Commit f8ab137 pushed by Tinaatucsd
February 2, 2024 02:35 3m 22s chgnet_updated_model
February 2, 2024 02:35 3m 22s
volume and pressure set to Optional(float)
testing #102: Commit fea2765 pushed by Tinaatucsd
February 2, 2024 01:06 3m 24s chgnet_updated_model
February 2, 2024 01:06 3m 24s
MDPVDataDoc allow None or float
testing #101: Commit 3e76837 pushed by Tinaatucsd
February 2, 2024 00:37 3m 18s chgnet_updated_model
February 2, 2024 00:37 3m 18s
Optional MDPVDataDoc
testing #100: Commit dce12a2 pushed by Tinaatucsd
February 2, 2024 00:16 3m 17s chgnet_updated_model
February 2, 2024 00:16 3m 17s
debug task_label setter
testing #99: Commit 6c8ef86 pushed by Tinaatucsd
January 30, 2024 19:54 3m 14s chgnet_updated_model
January 30, 2024 19:54 3m 14s
debug via overriding the setter
testing #98: Commit 835e5cc pushed by Tinaatucsd
January 30, 2024 19:45 3m 18s chgnet_updated_model
January 30, 2024 19:45 3m 18s
add task_label to all the places MDPVDataDoc
testing #97: Commit db61e2e pushed by Tinaatucsd
January 30, 2024 19:40 3m 21s chgnet_updated_model
January 30, 2024 19:40 3m 21s
assign a str to task_label in build_doc
testing #96: Commit 6e7d916 pushed by Tinaatucsd
January 30, 2024 19:34 3m 9s chgnet_updated_model
January 30, 2024 19:34 3m 9s
add task_label to MDPVDataDoc for Pydantic
testing #95: Commit d02c84a pushed by Tinaatucsd
January 30, 2024 19:14 3m 12s chgnet_updated_model
January 30, 2024 19:14 3m 12s
get_md_flow_chgnet arg model can be None
testing #94: Commit 4b9a3b0 pushed by Tinaatucsd
January 30, 2024 02:12 3m 12s chgnet_updated_model
January 30, 2024 02:12 3m 12s
small fix: self.model
testing #93: Commit 3ef90bc pushed by Tinaatucsd
January 30, 2024 02:01 3m 21s merge_flow_m3gnet_chgnet
January 30, 2024 02:01 3m 21s
small fix: self.model
testing #92: Commit 3ef90bc pushed by Tinaatucsd
January 30, 2024 01:08 3m 26s chgnet_updated_model
January 30, 2024 01:08 3m 26s
load CHGNet from run_md (credit: Aaron)
testing #91: Commit 068acd4 pushed by Tinaatucsd
January 30, 2024 01:01 3m 22s chgnet_updated_model
January 30, 2024 01:01 3m 22s
include model arg in CHGNetMDMaker class
testing #90: Commit 5b99edd pushed by Tinaatucsd
January 26, 2024 21:57 3m 3s chgnet_updated_model
January 26, 2024 21:57 3m 3s
PVFromCHGNet add arg for choosing model
testing #89: Commit 91a9d30 pushed by Tinaatucsd
January 26, 2024 20:02 3m 0s chgnet_updated_model
January 26, 2024 20:02 3m 0s
Add model arg in PVFromCHGNet
testing #88: Commit 7a8eae8 pushed by Tinaatucsd
January 26, 2024 00:19 3m 10s chgnet_updated_model
January 26, 2024 00:19 3m 10s
comment out the old args compressibility_au
testing #87: Commit acfe3d9 pushed by Tinaatucsd
January 25, 2024 23:43 3m 3s chgnet_updated_model
January 25, 2024 23:43 3m 3s
comment out inputs.potential
testing #86: Commit a2c6e62 pushed by Tinaatucsd
January 25, 2024 23:41 4m 25s chgnet_updated_model
January 25, 2024 23:41 4m 25s
add import
testing #85: Commit ed17e7f pushed by Tinaatucsd
January 25, 2024 22:45 3m 10s chgnet_updated_model
January 25, 2024 22:45 3m 10s
update the input args for MLMD allowing new model
testing #84: Commit d7ddf37 pushed by Tinaatucsd
January 25, 2024 20:37 3m 19s chgnet_updated_model
January 25, 2024 20:37 3m 19s
fix error
testing #82: Commit b2f5f0a pushed by Tinaatucsd
December 19, 2023 21:31 3m 22s chgnet_fm_refactor-pv-extract
December 19, 2023 21:31 3m 22s