/dports/science/xtb/xtb-6.4.1/src/ |
H A D | axis_trafo.f90 | 29 dimension x(numat),y(numat),z(numat),coord(3,numat) 55 coord(1:3,1:numat)=xyz(1:3,1:numat)*bohr 57 do i=1,numat 68 do i=1,numat 85 do i=1,numat 123 dimension x(numat),y(numat),z(numat),coord(3,numat) 149 coord(1:3,1:numat)=xyz(1:3,1:numat)*bohr 214 dimension x(numat),y(numat),z(numat),coord(3,numat) 240 coord(1:3,1:numat)=xyz(1:3,1:numat)*bohr 308 integer, intent(in) :: numat,nat(numat),mode local [all …]
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H A D | pocketscan.f90 | 237 real*8 coord(3,numat) 238 integer numat,nat(numat) local 240 real*8 t1(6),t2(6),eig(3),x(numat),y(numat),z(numat) 254 do i=1,numat 286 do i=1,numat 304 do i=1,numat
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H A D | intmodes.f90 | 473 integer, intent(in) :: numat 474 real(wp),intent(in) :: xyz(3,numat) 475 integer, intent(in) :: na(numat), nb(numat), nc(numat) 477 real(wp),intent(inout) :: geo(3,numat) 497 do i=2,numat 555 integer, intent(in) :: numat 556 real(wp),intent(in) :: xyz(3,numat) 557 integer, intent(inout) :: na(numat), nb(numat), nc(numat) 559 real(wp),intent(inout) :: geo(3,numat) 586 do i=1,numat [all …]
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/dports/biology/molden/molden5.8/ |
H A D | unmullik.f | 15 1 /molkst/ numat,nat(numatm),nfirst(numatm),nmidle(numatm), local 26 read(13)numat,norbs,nelecs,((xyz(i,j),j=1,numat),i=1,3) 27 if (numat.gt.numatm.or.norbs.gt.maxorb) stop 29 read(13)(nlast(i),nfirst(i),i=1,numat) 30 read(13)(zs(i),i=1,numat),(zp(i),i=1,numat), 31 1 (zd(i),i=1,numat),(nat(i),i=1,numat) 39 write(14,*)numat,norbs,nelecs,((xyz(i,j),j=1,numat),i=1,3) 40 write(14,*)(nlast(i),nfirst(i),i=1,numat) 41 write(14,*)(zs(i),i=1,numat),(zp(i),i=1,numat), 42 1 (zd(i),i=1,numat),(nat(i),i=1,numat)
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H A D | eem.f | 13 numat = 0 255 numat = icnt 272 do i=1,(numat-1) 277 do j=i+1,numat 286 x(numat,numat) = 2*var(numat,2) 287 x(numat,numat+1) = -1 288 x(numat+1,numat) = 1 289 x(numat+1,numat+1) = 0 293 do i=1,numat 306 do i=1,(numat) [all …]
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/dports/science/siesta/siesta-4.1.5/Util/sies2arc/ |
H A D | sies2arc.f | 148 numat = nint(floats(1)) 149 if (numat.gt.maxat) then 184 do i = 1,numat 211 do i=1,numat 232 do i=1,numat
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/dports/math/R-cran-VGAM/VGAM/R/ |
H A D | cqo.fit.q | 31 evnu <- eigen(var(numat), symmetric = TRUE) 37 sdnumat <- apply(numat, 2, sd) 43 numat[, lookat] <- numat[, lookat] * muxer 55 evnu <- eigen(var(numat), symmetric = TRUE) 83 numat = as.double(numat), as.double(ymat), 100 numat = as.double(numat), as.double(ymat), 157 numat <- double(n*Rank) #ccc functionVar 168 evnu <- eigen(var(numat), symmetric = TRUE) 174 sdnumat <- apply(numat, 2, sd) 191 evnu <- eigen(var(numat), symmetric = TRUE) [all …]
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H A D | calibrate.R | 288 numat <- latvar(object) # After scaling functionVar 307 numat2 <- numat[, index.rc$row.index, drop = FALSE] * 308 numat[, index.rc$col.index, drop = FALSE] 313 numat2 <- numat[, 1:Rank, drop = FALSE] * 314 numat[, 1:Rank, drop = FALSE] # Same as Itol 317 numat2 <- numat[, 1:Rank, drop = FALSE] * 318 numat[, 1:Rank, drop = FALSE] 329 ansA <- kronecker(numat, diag(M)) 359 attr(numat, "assign") <- somejunk 372 vglm.fit(x = numat, y = depvar(object),
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H A D | family.rrr.R | 45 qrrvglm.xprod <- function(numat, Aoffset, Quadratic, I.tolerances) { argument 46 Rank <- ncol(numat) 50 temp1 <- cbind(numat[, index$row] * numat[, index$col]) 56 cbind(numat, if (I.tolerances) NULL else temp1) 58 as.matrix(numat) 160 numat <- x[, colx2.index, drop = FALSE] %*% C functionVar 161 evnu <- eigen(var(numat), symmetric = TRUE) 777 evnu <- eigen(var(numat), symmetric = TRUE) 780 offset <- if (Rank > 1) -0.5*rowSums(numat^2) else -0.5*numat^2 1081 evnu <- eigen(var(numat), symmetric = TRUE) [all …]
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H A D | cao.fit.q | 556 numat <- xmat[, control$colx2.index, drop = FALSE] %*% cmatrix functionVar 557 evnu <- eigen(var(numat), symmetric = TRUE) 562 numat <- xmat[, control$colx2.index, drop = FALSE] %*% cmatrix 565 dim(numat) <- c(n, Rank) 567 nu1mat <- cbind("(Intercept)" = 1, latvar = numat) 677 numat = as.double(numat), ymat = as.double(ymat), wvec = as.double(wvec), 833 numat <- xmat2 %*% matrix(cmatrix, p2, Rank) functionVar 834 dim(numat) <- c(nrow(xmat), Rank) 840 temp.smooth.frame[[uu+1]] <- numat[, uu] 883 nu1mat <- cbind("(Intercept)" = 1, latvar = numat) [all …]
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/dports/astro/py-pysofa/pysofa-0.1.1/docs/ |
H A D | astro.rst | 17 num00b, num06a, numat, nut00a, nut00b, nut06a, nut80, nutm80,
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/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
H A D | bgfplugin.cpp | 51 int numat=0; in open_bgf_read() local 66 numat++; in open_bgf_read() 77 *natoms = numat; in open_bgf_read()
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H A D | xbgfplugin.cpp | 54 int numat=0; in open_xbgf_read() local 79 numat++; in open_xbgf_read() 105 *natoms = numat; in open_xbgf_read()
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/dports/biology/mopac/mopac7-1.15/fortran/c_src_bak/ |
H A D | libmopac7.c | 34 integer numat, nat[120], nfirst[120], nmidle[120], nlast[120], norbs, member
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/dports/biology/mopac/mopac7-1.15/fortran/ |
H A D | libmopac7.c | 34 integer numat, nat[120], nfirst[120], nmidle[120], nlast[120], norbs, member
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H A D | bonds.f | 130 +PM(I),I=1,numat)
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H A D | ef.f | 195 if (nvar.eq.3*numat) then 667 IF(NVAR.GT.(3*NUMAT-6) .and. numat.ge.3)WRITE(6,25)
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/dports/astro/p5-Starlink-AST/Starlink-AST-1.05/extsrc/erfa/ |
H A D | Makefile.am | 16 ldn.c ldsun.c num00a.c num00b.c num06a.c numat.c nut00a.c nut00b.c \
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/dports/astro/py-pyerfa/pyerfa-2.0.0/liberfa/erfa/src/ |
H A D | Makefile.am | 21 num00a.c num00b.c num06a.c numat.c nut00a.c nut00b.c \
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H A D | Makefile.in | 159 num00a.lo num00b.lo num06a.lo numat.lo nut00a.lo nut00b.lo \ 273 ./$(DEPDIR)/numat.Plo ./$(DEPDIR)/nut00a.Plo \ 692 num00a.c num00b.c num06a.c numat.c nut00a.c nut00b.c \ 948 @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/numat.Plo@am__quote@ # am--include-marker 1557 -rm -f ./$(DEPDIR)/numat.Plo 1853 -rm -f ./$(DEPDIR)/numat.Plo
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/dports/astro/p5-Astro-PAL/Astro-PAL-1.09/ |
H A D | MANIFEST | 143 erfasrc/src/numat.c
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/dports/astro/py-pyerfa/pyerfa-2.0.0/erfa/ |
H A D | core.py | 8861 def numat(epsa, dpsi, deps): function 8924 rmatn = ufunc.numat(epsa, dpsi, deps)
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/dports/astro/sofa/sofa/20210512/c/src/ |
H A D | makefile | 674 iauNumat.o : numat.c sofa.h sofam.h 675 $(CCOMPC) $(CFLAGF) -o $@ numat.c
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/dports/astro/p5-Starlink-AST/Starlink-AST-1.05/ast/ |
H A D | Makefile.am | 415 erfa/numat.c \
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/dports/astro/p5-Starlink-AST/Starlink-AST-1.05/ |
H A D | MANIFEST | 446 extsrc/erfa/numat.c
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