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Commits on Jul 19, 2025
[Refactor] Move module_lr to source_lcao and add a new folder module_external in source_base (#6388)
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Commits on Jul 14, 2025
[Refactor] Rename grid to module_grid and genelpa to module_genelpa (#6386)
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Commits on Jul 10, 2025
Uploading hybrid gauge tddft (#6369)
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Commits on Jul 5, 2025
[Refactor] Move module_parameter to source_io. Reorganize source_lcao (#6358)
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Feature: Implement Xu-Wang-Ma KEDF (#6359)
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Commits on Jul 3, 2025
[Refactor] Rename module_tddft and hamilt_ofdft and hamilt_stodft and hamilt_pwdft (#6353)
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Commits on Jul 2, 2025
Refactor: Refactor KEDF management in ESolver_OF (#6349)
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Commits on Jul 1, 2025
[Refactor] Move module_ri to source_lcao/module_ri and module_rdmft to source_lcao/module_rdmft and correct some documents (#6344)
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Remove useless and outdated `write_psi_r_1` interface and improve related docs and examples (#6345)
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Commits on Jun 27, 2025
Rename module_md module_relax module_hamilt_lcao module_io (#6340)
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new gint module (This is a big PR that replaces old integral codes) (#6296)
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Commits on Jun 25, 2025
[Refactor] Rename module_elecstate and module_psi and module_hamilt_pw (#6334)
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Commits on Jun 23, 2025
Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue (#6326)
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Commits on Jun 21, 2025
[Refactor] Rename module_basis to source_basis || module_cell to source_cell (#6319)
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Commits on Jun 19, 2025
[Refactor] Rename module_base to source_base (#6311)
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Commits on Jun 18, 2025
Combine relax_new with relax_old (#6303)
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add write_libxc_r (#6293)
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[Refactor] Rename module_hsolver to source_hsolver (#6305)
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Commits on Jun 17, 2025
Rename module_esolver to source_esolver (#6300)
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Feature: add complex erf function (#6301)
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Commits on Jun 16, 2025
[Refactor] Move certain files to source_main (#6290)
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Commits on Jun 13, 2025
Refactor: Optimize the code structure of K_Vectors (#6263)
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Refactor: Combine some checking functions in DeePKS. (#6285)
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Commits on Jun 7, 2025
Reconstruct the LCAO codes for the parameter 'PARAM.inp.out_interval', enable a unified control of output information every few ionic steps. (#6272)
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Commits on May 19, 2025
Update the output and readin of electronic wave functions in plane wave basis set (#6223)
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Commits on May 12, 2025
Update the output filenames when out_wfc_lcao turns on (#6205)
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Commits on Apr 30, 2025
[Refactor] Separate blas_connector.cpp into three files (#6178)
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Commits on Apr 13, 2025
Update DOS codes and related changes with respect to 'magnetzation' variable and default results of 204_NO_KP_NC example, reconstruct esolver by adding a new file pw_setup.cpp in esolver (#6145)
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Commits on Apr 9, 2025
Refactor the LCAO DOS codes (#6127)
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Commits on Apr 3, 2025
Feature: ldos in pw basis set (#6100)
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Feature: print the expectation value of angular momentum operators Lx/Ly/Lz for ABACUS NAO basis (#6097)
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Commits on Mar 28, 2025
Refactor:Change potentials to module_pot (#6070)
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Commits on Mar 27, 2025
Refactor: Remove some files in DeePKS and add some features. (#6065)
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Refactor: set dm_to_rho as a new esolver (#6059)
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Commits on Mar 25, 2025
Refactor symmetr.cpp, update some output formats in surfchem, etc. (#6052)
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