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deepmodeling / dpdata Public

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Make improvements to the format for OpenMX#619

Merged

njzjz merged 6 commits intodeepmodeling:develdeepmodeling/dpdata:develfrom

shigeandtomo:openmxshigeandtomo/dpdata:openmxCopy head branch name to clipboard

Mar 20, 2024

Conversation Commits6 (6)Checks Files changed

Merged

Make improvements to the format for OpenMX#619
njzjz merged 6 commits intodeepmodeling:develfrom
shigeandtomo:openmx

Commits

Commits on Mar 18, 2024

Change the name of OpenMX format from openmx/out to openmx/md
shigeandtomo
committed
Add error message regarding System.Name.md support format
shigeandtomo
committed

Commits on Mar 19, 2024

Add SCF convergence determination
shigeandtomo
committed
Add description
shigeandtomo
committed
Apply ruff format
shigeandtomo
committed
Add a test for openmx
shigeandtomo
committed

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