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abacus_fixer
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fix(dftu): restore cal_eff_pot_mat_R_{double,complex_double} function names
Commit 5ac6ca7 claimed 'R-space versions cal_eff_pot_mat_R_* kept as-is for follow-up' in its message, but actually renamed the function definitions in dftu_hamilt.cpp to cal_pot_uterm_mat_R_*. The member declarations in dftu_lcao.h were not renamed, causing header/implementation mismatch: dftu_hamilt.cpp:127: error: no declaration matches 'void Plus_U::cal_pot_uterm_mat_R_double(int, double*, double*, int)' dftu_hamilt.cpp:157: error: no declaration matches 'void Plus_U::cal_pot_uterm_mat_R_complex_double(...)' Restore the original names cal_eff_pot_mat_R_double and cal_eff_pot_mat_mat_R_complex_double in dftu_hamilt.cpp so they match the declarations in dftu_lcao.h:80,82 and the call sites in spar_u.cpp:76,195. The R-space functions will be renamed in a follow-up commit that also updates spar_u.cpp and the header in lock-step. Verification: - rg 'cal_pot_uterm_mat_R' returns no matches (no stale callers). - rg 'cal_eff_pot_mat_R' shows consistent use across dftu_lcao.h (declarations), dftu_hamilt.cpp (definitions), spar_u.cpp (call sites).
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Lines changed: 2 additions & 2 deletions

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source/source_lcao/module_dftu/dftu_hamilt.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -124,7 +124,7 @@ void pot_uterm_real(Plus_U& dftu,
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} // namespace DFTU_LCAO
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127-
void Plus_U::cal_pot_uterm_mat_R_double(const int ispin, double* SR, double* HR, const int npol)
127+
void Plus_U::cal_eff_pot_mat_R_double(const int ispin, double* SR, double* HR, const int npol)
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{
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const char transN = 'N', transT = 'T';
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const int one_int = 1;
@@ -154,7 +154,7 @@ void Plus_U::cal_pot_uterm_mat_R_double(const int ispin, double* SR, double* HR,
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return;
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}
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157-
void Plus_U::cal_pot_uterm_mat_R_complex_double(const int ispin, std::complex<double>* SR, std::complex<double>* HR, const int npol)
157+
void Plus_U::cal_eff_pot_mat_R_complex_double(const int ispin, std::complex<double>* SR, std::complex<double>* HR, const int npol)
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{
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const char transN = 'N', transT = 'T';
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const int one_int = 1;

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