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bug fix for no CAP

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This commit is contained in:
Loris Burth 2025-04-30 15:08:25 +02:00
parent f6d2322204
commit 9d86ea87ee
1 changed files with 1 additions and 1 deletions
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src/QuAcK/QuAcK.f90
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@ -207,8 +207,8 @@ program QuAcK
call wall_time(start_int)
call read_1e_integrals(working_dir,nBas,S,T,V,Hc)
call read_eta_cap(working_dir,eta_cap)
if (doCAP) then
call read_eta_cap(working_dir,eta_cap)
call read_CAP_integrals(working_dir,nBas,CAP)
CAP(:,:) = -eta_cap*CAP(:,:)
end if