Code

Add 4 pt descriptor compression#4227

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njzjz merged 102 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom cherryWangY:develcherryWangY/deepmd-kit:develCopy head branch name to clipboardNov 1, 2024

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Commits on Jun 9, 2024

• yan devel

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• tabulate_fusion_se_t

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• tabulate_fusion_all_op_basic_verion

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• compile safe version

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Commits on Jun 13, 2024

• Merge branch 'devel' of https://github.com/cherryWangY/deepmd-kit into devel

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• se_a & se_atten

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• se_r

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• remove print

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• move pt op test

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Commits on Jun 16, 2024

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• add dtype=float64

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• test both float64 and float32

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• skip tests if customized ops are not enables

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Commits on Jun 18, 2024

• Merge branch 'devel' into devel

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• Merge branch 'devel' into tabulate_op

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• reduce test size from 192 atoms to 4 atoms

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Commits on Jun 29, 2024

• Merge branch 'deepmodeling:devel' into devel

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Commits on Jul 7, 2024

• basic descriptor se_a

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• Merge branch 'devel' of https://github.com/cherryWangY/deepmd-kit into devel

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• basic descriptor se_a

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• basic descriptor se_a

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Commits on Jul 27, 2024

• basic torch version

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Commits on Aug 6, 2024

• compressed se_a test

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Commits on Aug 28, 2024

• se_a debug

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Commits on Oct 17, 2024

• four descriptors compression

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Commits on Oct 21, 2024

• remove redundant code for pt descriptor compression

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• align to latest version

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• align to latest version

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Commits on Oct 26, 2024

• add fake op for freezing

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• add explicit device

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Commits on Oct 27, 2024

• set se_t precesion as 1e-6 when float64

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• avoid using env.DEVICE in the forward

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• change enable_compression

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• add enable_compression() to BaseBaseModel

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Commits on Oct 30, 2024

• remove enable_compression() in base_model

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• add enable_compression() in base_descriptor

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• set is_pt

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• fix for loop; fix codeql warnings

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Commits on Nov 1, 2024

• add comment at descrpt SeT build()

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• Refactor duplicate code in _get_bias and _get_matrix methods

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