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LeMat-Bulk-fixed

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LeMat-Bulk-fixed / scripts /build_fixed.py

Commit History

Oct 14 26 days ago

06:28
v3: fill the forces and stress upstream left empty (30,679 MP rows) from MP's S3 task documents; audit forces_source

kazeevn

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74e2a2e
05:35
v2: remove rows only for calculation-level causes; follow MP-merged ids; restore 797 rows; add audit cause column; correct Yb section

kazeevn

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14d44a6

Oct 13 27 days ago

20:54
LeMat-Bulk compatible_pbe with stale Materials Project energies fixed, plus audit table

kazeevn

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ce33d98