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remove double counting of nuclear repulsion

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This commit is contained in:
Abdallah Ammar 2024-08-27 15:23:42 +02:00
parent 2e6df70e03
commit 674635c057
1 changed files with 3 additions and 3 deletions
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plugins/local/slater_tc/slater_tc_opt.irp.f
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@ -129,9 +129,9 @@ subroutine htilde_mu_mat_opt_bi_ortho(key_j, key_i, Nint, hmono, htwoe, hthree,
endif endif
if(degree==0) then ! if(degree==0) then
htot += nuclear_repulsion ! htot += nuclear_repulsion
endif ! endif
end end