PTEROSOR/QuAcK
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small print again

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This commit is contained in:
Pierre-Francois Loos 2024-09-04 16:17:44 +02:00
parent 4d022994c9
commit 2fd6158722
2 changed files with 4 additions and 4 deletions
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4
src/QuAcK/QuAcK.f90
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@ -168,8 +168,8 @@ program QuAcK
call wall_time(start_int) call wall_time(start_int)
call read_integrals(nBas, S(1,1), T(1,1), V(1,1), Hc(1,1), ERI_AO(1,1,1,1)) call read_integrals(nBas,S,T,V,Hc,ERI_AO)
call read_dipole_integrals(nBas, dipole_int_AO) call read_dipole_integrals(nBas,dipole_int_AO)
call wall_time(end_int) call wall_time(end_int)

4
src/QuAcK/RQuAcK.f90
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@ -161,8 +161,8 @@ subroutine RQuAcK(dotest,doRHF,doROHF,dostab,dosearch,doMP2,doMP3,doCCD,dopCCD,d
! Read and transform dipole-related integrals ! Read and transform dipole-related integrals
do ixyz = 1, ncart do ixyz=1,ncart
call AOtoMO(nBas, nOrb, cHF, dipole_int_AO(1,1,ixyz), dipole_int_MO(1,1,ixyz)) call AOtoMO(nBas,nOrb,cHF,dipole_int_AO(1,1,ixyz),dipole_int_MO(1,1,ixyz))
end do end do
! 4-index transform ! 4-index transform