Refactor the relax module - #7456

Merged

mohanchen merged 55 commits into

deepmodeling:developfrom

mohanchen:20260608-relax

Jun 17, 2026

Commits on Jun 8, 2026

format update
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replace new with vector
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format update
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update
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update
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update
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move bfgs.h to ions_move_bfgs2.h
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Commits on Jun 9, 2026

fix
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add relax_data
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update
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update
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update
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fix
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fix test of relax module
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remove ZEROS function
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remove GlobalC, phase 1
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Commits on Jun 10, 2026

fix bug
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remove GlobalV::ofs_running
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fix bugs
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update
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remove esolver_ks.h
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fix a bug
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delete useless variable
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refactor(relax_driver): 重构弛豫驱动模块
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Commits on Jun 11, 2026

update
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change name
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update
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optimize
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update
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improve the logic
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update
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change istep starting from 0
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update istep, should be starting from 0, when output, should be istep+1
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Merge branch 'develop' into 20260608-relax
mohanchen
authored

Commits on Jun 12, 2026

remove class variables
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update
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update
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update
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update
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update
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move istep in ions_move_basic.h
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remove converged variable in ions_move_basic
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Merge branch '20260608-relax' of github.com:mohanchen/abacus-mc into 20260608-relax
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Merge branch 'develop' into 20260608-relax
mohanchen
authored

Commits on Jun 15, 2026

fix test
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Merge branch '20260608-relax' of github.com:mohanchen/abacus-mc into 20260608-relax
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remove a parameter update_iter in ions_move_basic
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remove some variables abot etot and etot_p
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Merge branch 'develop' into 20260608-relax
mohanchen
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update, remove variables
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update
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remove relax_methods
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delete useless variables
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update move_cg method
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remove static members in lattice_change_cg files
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