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ldfzvec: number of arguments in dft_core call does not match with definition

  • i.s.ger
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3 weeks 3 hours ago #1479 by i.s.ger
ldfzvec: number of arguments in dft_core call does not match with definition was created by i.s.ger
Hello!

I've looked through MRCC source code and I've found that call dft_core in ldfzvec.f90 does not match with definition of dft_core in dft.f.

In one of the versions of MRCC (I do not know exactly which, but not older that MRCC 2023), dft_core has definition:
./dft.f:2:      subroutine dft_core(nbasis,nal,nbe,focka,fockb,moa,mob,grfile,
./dft.f-3-     $dcore,iout,exc,dft,minpfile,scftype,ifltln,maxcor,imem,imem1,
./dft.f-4-     $icore,verbosity,dero,grad,route,densa,densb,nstate,mult,chfx,
./dft.f-5-     $istore,g2ab,vint2ab,lldenscorr,ifb_loc,nvirta,nvirtb,dfnbasis)

at ldfzvec, it is called as:
./ldfzvec.f90:1162:  call dft_core(nbasis,nal,nbe,dcore(ixca),dcore(ixcb),dcore(imoa),dcore(imob), &
./ldfzvec.f90-1163-    scrfile4,dcore,iout,exc,dft,minpfile,iscft,ifltln,maxcor,imem,imem1,icore,  &
./ldfzvec.f90-1164-    0,0,dcore,route,dcore(idens),dcore(idensb),1,1,chfx,0)

The following args are not defined there:
,g2ab,vint2ab,lldenscorr,ifb_loc,nvirta,nvirtb,dfnbasis)

Igor


 

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