Refactor tests of xc module#7475
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June 16, 2026 22:28
…ion parameters for nspin, domag, domag_z
This commit decouples XC_Functional and related libxc functions from the global PARAM object by adding explicit parameters: 1. Modified XC_Functional::v_xc() to accept nspin, domag, domag_z parameters instead of accessing PARAM 2. Modified XC_Functional::gradcorr() to accept nspin, domag, domag_z parameters 3. Modified XC_Functional::set_xc_type() to accept nspin parameter 4. Modified XC_Functional_Libxc::v_xc_libxc() to accept nspin, domag, domag_z parameters 5. Modified XC_Functional_Libxc::v_xc_meta() to accept nspin parameter Updated all call sites in: - source_estate/module_pot/pot_xc.cpp - source_estate/module_pot/pot_xc_fdm.cpp - source_pw/module_pwdft/forces_cc.cpp - source_pw/module_pwdft/stress_cc.cpp - source_hamilt/module_xc/xc_pot.cpp - source_hamilt/module_xc/libxc_pot.cpp - source_hamilt/module_xc/libxc_abacus.h Updated test files to remove PARAM dependencies: - test_xc3.cpp: Removed PARAM include and initialization - test_xc5.cpp: Removed PARAM include and initialization, updated v_xc, v_xc_meta calls - xctest.h: Removed PARAM include and initialization Default parameter values are provided for backward compatibility.
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