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  1. Add check when running exx.
  2. Update code format in Exx_LRI and Exx_LRI_interface.

@mohanchen mohanchen merged commit ede1437 into deepmodeling:LTS May 31, 2025
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@mohanchen mohanchen added the EXX and lr-TDDFT Related to EXX or lr-TDDFT label May 31, 2025
linpeize added a commit to linpeize/abacus-develop that referenced this pull request May 31, 2025
* fix bug and update code format in exx

* Fix bug in Exx_LRI_Interface. Change && to ||

* update exx in ESolver_KS_LCAO and FORCE_STRESS

* update runtime check in Exx_LRI_Interface

* move exx_lri_double from ESolver_KS_LCAO to Exx_LRI_Interface

---------

Co-authored-by: linpz <[email protected]>
Conflicts:
	source/module_ri/Exx_LRI_interface.hpp
@linpeize linpeize deleted the LTS_exx branch May 31, 2025 14:53
mohanchen pushed a commit that referenced this pull request Jun 1, 2025
* fix bug and update code format in exx

* Fix bug in Exx_LRI_Interface. Change && to ||

* update exx in ESolver_KS_LCAO and FORCE_STRESS

* update runtime check in Exx_LRI_Interface

* move exx_lri_double from ESolver_KS_LCAO to Exx_LRI_Interface

---------


Conflicts:
	source/module_ri/Exx_LRI_interface.hpp

Co-authored-by: linpz <[email protected]>
mohanchen pushed a commit that referenced this pull request Jun 1, 2025
* add check and update code format in exx (#6244)

* fix bug and update code format in exx

* Fix bug in Exx_LRI_Interface. Change && to ||

* update exx in ESolver_KS_LCAO and FORCE_STRESS

* update runtime check in Exx_LRI_Interface

* move exx_lri_double from ESolver_KS_LCAO to Exx_LRI_Interface

---------

Co-authored-by: linpz <[email protected]>
Conflicts:
	source/module_ri/Exx_LRI_interface.hpp

* refactor RI_Util::get_ccp_parameter()

---------

Co-authored-by: linpz <[email protected]>
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4 participants