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Searched refs:fdsum (Results 1 – 5 of 5) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/
H A Drak27.F147 double precision asum, fdsum local
484 fdsum = 0.0d00
488 fdsum = fdsum + fdgrad(i,j,ixyz,atom)
491 if ((abs(asum).gt.1.0d-06).or.(abs(fdsum).gt.1.0d-06))
492 & write(6,*)i,j,asum,fdsum
H A Drak25.F147 double precision asum, fdsum local
430 fdsum = 0.0d00
434 fdsum = fdsum + fdgrad(i,j,ixyz,atom)
437 if ((abs(asum).gt.1.0d-06).or.(abs(fdsum).gt.1.0d-06))
438 & write(6,*)i,j,asum,fdsum
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/
H A Drak25.F147 double precision asum, fdsum
430 fdsum = 0.0d00
434 fdsum = fdsum + fdgrad(i,j,ixyz,atom)
437 if ((abs(asum).gt.1.0d-06).or.(abs(fdsum).gt.1.0d-06))
438 & write(6,*)i,j,asum,fdsum
H A Drak27.F147 double precision asum, fdsum
484 fdsum = 0.0d00
488 fdsum = fdsum + fdgrad(i,j,ixyz,atom)
491 if ((abs(asum).gt.1.0d-06).or.(abs(fdsum).gt.1.0d-06))
492 & write(6,*)i,j,asum,fdsum
/dports/science/fastcap/fastcap-2.0wr/src/
H A Dcalcp.c514 double fs, fd, fdsum; local
547 fdsum = ss1 + ss3 + 5.0 * ss5;
548 fd = zr2Inv * fdsum;
569 fdsum = 5.0 * ss5 + 7.0 * ss7 + 9.0 * ss9;
570 fd += zr2Inv * fdsum;