Searched refs:fdsum (Results 1 – 5 of 5) sorted by relevance
/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
H A D | rak27.F | 147 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
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H A D | rak25.F | 147 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
H A D | rak25.F | 147 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
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H A D | rak27.F | 147 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
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/dports/science/fastcap/fastcap-2.0wr/src/ |
H A D | calcp.c | 514 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;
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