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Update ABACUS output formats, accept it after 3.10 version#6076

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mohanchen merged 27 commits into
deepmodeling:developfrom
mohanchen:develop
Mar 31, 2025
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Update ABACUS output formats, accept it after 3.10 version#6076
mohanchen merged 27 commits into
deepmodeling:developfrom
mohanchen:develop

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Update ABACUS output formats, accept it after 3.10 version

@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Mar 31, 2025
@mohanchen mohanchen merged commit 35448cb into deepmodeling:develop Mar 31, 2025
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…ing#6076)

* update some timers

* update timer

* update output formats

* update print_cell

* add ofs in print_tau

* update print_tau

* update output formats

* update md outputs

* beging modifying the autotests

* update integrate tests

* update some timers

* fix total force and total stress

* update integrate tests

* update print_band

* fix print_band

* update md print out information

* update print_stress

* update print_stress in dp, but still has problems in lj

* fix dp_test.cpp

* update esolver_lj

* set mulliken charge accuracy from 4 to 3

* update print force and print stress
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