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@A-006 A-006 commented Jan 7, 2025

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Fix #...

Unit Tests and/or Case Tests for my changes

  • Modify the unittest of the read_atom_species

What's changed?

  • modify read_atom_species,add the read_atom_species.cpp
  • Add func read_lattice_constant to read the lattice_constant
  • modify the atom_mass,atom_lable,pesudo_fn,pesudo_type to vector.

@A-006 A-006 marked this pull request as draft January 7, 2025 04:20
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jan 8, 2025
@A-006 A-006 marked this pull request as ready for review January 8, 2025 06:55
@mohanchen mohanchen merged commit beeb256 into deepmodeling:develop Jan 9, 2025
14 checks passed
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…eepmodeling#5828)

* modify cheack_tau

* change the cheak_tau

* modify the read_atom_species

* upadte the file

* fix unittest bug

* add objs

* modify the atom_label and atom_mass

* modify compile bug

* modify the reszie of the atom_mass

* fix compile bug

* [pre-commit.ci lite] apply automatic fixes

* Revert "fix compile bug"

This reverts commit 9a51ca3.

* Revert "modify the reszie of the atom_mass"

This reverts commit f9cc2b9.

* update the resize

* fix unitest bug

* change the compile bug

---------

Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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