/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | fermisurface.f90 | 104 USE start_k, ONLY : k1,k2,k3, nk1,nk2,nk3 126 IF ( nk1 == 0 .OR. nk2 == 0 .OR. nk3 == 0 .OR. & 130 nkfs = (nk1+1)*(nk2+1)*(nk3+1) 135 DO j=1,nk2+1 138 n = (k-1) + (j-1)*(nk3+1) + (i-1)*(nk2+1)*(nk3+1) + 1 141 xkg(2,n) = dble(j-1)/nk2 + dble(k2)/2/nk2 212 USE start_k, ONLY : nk1, nk2, nk3 250 nk1,nk2,nk3, bg(:,1),bg(:,2),bg(:,3), e_fs ) 279 nk1,nk2,nk3, bg(:,1),bg(:,2),bg(:,3), e_fs ) 307 nk1,nk2,nk3, bg(:,1),bg(:,2),bg(:,3), e_fs )
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H A D | dos.f90 | 37 USE start_k, ONLY : k1, k2, k3, nk1, nk2, nk3 124 … IF ( nk1*nk2*nk3 .eq. 0 ) CALL errore ('dos:', 'tetrahedra integration only with automatic ' // & 141 k1,k2,k3, nk1,nk2,nk3, nks2, xk ) 149 & k1, k2, k3, nk1, nk2, nk3, nks2, xk, 1)
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/dports/science/py-scipy/scipy-1.7.1/scipy/interpolate/fitpack/ |
H A D | fpchep.f | 22 integer i,i1,i2,j,j1,k1,k2,l,l1,l2,mm,m1,nk1,nk2 local 28 nk2 = nk1+1 41 do 30 i=k2,nk2 45 if(x(1).lt.t(k1) .or. x(m).gt.t(nk2)) go to 130 58 60 per = t(nk2)-t(k1)
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H A D | fpchec.f | 22 integer i,j,k1,k2,l,nk1,nk2,nk3 local 28 nk2 = nk1+1 40 do 30 i=k2,nk2 44 if(x(1).lt.t(k1) .or. x(m).gt.t(nk2)) go to 80
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H A D | splder.f | 67 integer i,j,kk,k1,k2,l,ll,l1,l2,nk1,nk2,nn local 102 nk2 = nk1 105 nk2 = nk2-1 107 do 50 i=1,nk2
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H A D | fpched.f | 24 integer i,ib1,ie1,j,jj,k1,k2,l,nk1,nk2,nk3 local 30 nk2 = nk1+1 46 do 30 i=k2,nk2 50 if(x(1).lt.t(k1) .or. x(m).gt.t(nk2)) go to 80
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H A D | fpadpo.f | 17 integer i,ii,j,jj,k1,l,l1,n1,n2,nk1,nk2 local 46 nk2 = nk1-1 47 do 60 l=k1,nk2
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | tetra.f90 | 74 INTEGER, INTENT(IN) :: nk2 local 100 ntetra = 6*nk1*nk2*nk3 107 nkr = nk1*nk2*nk3 113 DO j = 1, nk2 119 xkg(2,n) = DBLE(j-1)/nk2 + DBLE(k2)/2/nk2 180 DO j = 1, nk2 274 INTEGER, INTENT(IN) :: nk2 local 374 ntetra = 6*nk1*nk2*nk3 434 DO i2 = 1, nk2 449 DO ik = 1, nk1 * nk2 * nk3 [all …]
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H A D | bp_strings.f90 | 9 k1,k2,k3, nk1,nk2,nk3, nks, xk, wk ) argument 22 INTEGER , INTENT(IN) :: nk2 local 50 npk, k1,k2,k3, 1,nk2,nk3, nks, xk0, wk0 ) 57 npk, k1,k2,k3, nk1,nk2,1, nks, xk0, wk0 )
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H A D | orbm_kubo.f90 | 37 USE start_k, ONLY : nk1, nk2, nk3 124 kpt_arr(2) = nk2 158 DO j=1,nk2 ! y 161 n = (k-1) + (j-1)*nk3 + (i-1)*nk2*nk3 + 1 186 nbr(1) = n-nk2*nk3 190 nbr(1) = n+(nk1-1)*nk2*nk3 195 nbr(2) = n+nk2*nk3 199 nbr(2) = n-(nk1-1)*nk2*nk3 208 nbr(3) = n+(nk2-1)*nk3 211 IF (j<nk2) THEN [all …]
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H A D | start_k.f90 | 22 INTEGER :: nk2 variable 60 nk1 = 0; nk2 = 0; nk3 = 0; k1 = 0; k2 = 0; k3 = 0 105 nk2 = nk2_
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H A D | a2fmod.f90 | 29 USE start_k, ONLY : nk1, nk2, nk3 48 WRITE( iuna2Fsave, * ) nk1, nk2, nk3
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H A D | setup.f90 | 58 nk1, nk2, nk3, k1, k2, k3 470 k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk, nspin) 477 k1, k2, k3, nk1, nk2, nk3, nkstot, xk, wk ) 484 npk, k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk) 577 nk1, nk2, nk3, nkstot, xk ) 580 k1, k2, k3, nk1, nk2, nk3, nkstot, xk, 1)
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H A D | scale_h.f90 | 25 USE start_k, ONLY : nks_start, xk_start, nk1,nk2,nk3 50 IF ( nk1==0 .AND. nk2==0 .AND. nk3 == 0 .AND. &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | elph_scdft_mod.f90 | 41 USE start_k, ONLY: nk1, nk2, nk3 96 nkBZ = nk1 * nk2 * nk3 102 & nk1, nk2, nk3, nks_real, xk_col, 1, nkBZ, eqBZ, sBZ) 105 & nk1, nk2, nk3, nks_real, xk_col, 2, nkBZ, eqBZ, sBZ) 129 kv2(1:3) = MATMUL(REAL(symq(1:3,1:3,isym), dp), kv1(1:3)) * REAL((/nk1, nk2, nk3/), dp) 134 ikv2(1:3) = MODULO(ikv2(1:3), (/nk1, nk2, nk3/)) 135 nn2 = 1 + ikv2(1) + nk1 * ikv2(2) + nk1 * nk2 * ikv2(3) 171 ikv2(1:3) = MODULO(ikv2(1:3), (/nk1, nk2, nk3/)) 172 nn = ikv2(3) + ikv2(2) * nk3 + ikv2(1) * nk2 * nk3 + 1 173 nn2 = ikv2(1) + ikv2(2) * nk1 + ikv2(3) * nk2 * nk1 + 1 [all …]
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/dports/misc/vxl/vxl-3.3.2/contrib/mul/vil3d/algo/ |
H A D | vil3d_gauss_reduce.hxx | 60 unsigned nk2 = (nk+1)/2; in vil3d_gauss_reduce() local 85 dest_im.set_size(ni2, nj2, nk2, n_planes); in vil3d_gauss_reduce() 113 unsigned nk2 = nk; in vil3d_gauss_reduce_ij() local 117 dest_im.set_size(ni2,nj2,nk2,n_planes); in vil3d_gauss_reduce_ij() 153 unsigned nk2 = (nk+1)/2; in vil3d_gauss_reduce_ik() local 157 dest_im.set_size(ni2,nj2,nk2,n_planes); in vil3d_gauss_reduce_ik() 193 unsigned nk2 = (nk+1)/2; in vil3d_gauss_reduce_jk() local 198 dest_im.set_size(ni2,nj2,nk2,n_planes); in vil3d_gauss_reduce_jk()
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/src/ |
H A D | summary_tran.f90 | 47 integer :: ien, nk1, nk2, k1, k2, c_tab, nk_full, i, j, l, k local 87 nk_full = nk1*nk2 98 DO j = 1, nk2 99 k = (i-1)*nk2 + j 101 xyk_full(2,k) = dble(j-1)/nk2 + dble(k2)/2/nk2
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/dports/misc/vxl/vxl-3.3.2/contrib/mul/vimt3d/tests/ |
H A D | test_gauss_reduce.cxx | 31 unsigned nk2 = (nk+1)/2; in test_gauss_reduce_float() local 40 …TEST_NEAR("Corner pixel",image0.image()(ni2*2-2,nj2*2-2,nk2*2-2),image1.image()(ni2-1,nj2-1,nk2-1)… in test_gauss_reduce_float()
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/dports/biology/gatk/gatk-4.2.0.0/scripts/funcotator/testing/ |
H A D | compareTwoReferenceDictionaries.sh | 132 cat ${refBFile} | awk '{print $6,$2}' | grep '^M5' | sort -nk2 | sed -e 's#M5:##g' -e 's#SN:##g' >… 138 cat ${refAFile} | awk '{print $5,$2}' | grep '^M5' | sort -nk2 | sed -e 's#M5:##g' -e 's#SN:##g' > … 141 join -1 1 -2 1 ${tmpRefB} ${tmpRefA} | sort -nk2 > ${tmpJoined}
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/topological/ |
H A D | spillage.py | 79 for nk2 in range(1, so_nkpts + 1): # spin orbit 80 kso = so_kvecs[nk2 - 1, :] 137 for nk2 in range(1, so_nkpts + 1): # spin orbit 138 kso = so_kvecs[nk2 - 1, :] 176 t = so.coeffs[nk2 - 1][n1 - 1].flatten() 202 nk2,
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/dports/misc/vxl/vxl-3.3.2/contrib/mul/tools/ |
H A D | multiplane_image.cxx | 89 const unsigned nk2 = ir2->nk(); in main2() local 95 MBL_LOG(INFO, logger(), "nk: " << nk2); in main2() 100 if (!(w2i2==w2i) || ni2!=ni || nj2!=nj || nk2!=nk || fmt2!=fmt) in main2() 141 for (unsigned k=0; k<nk2; ++k) in main2()
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/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
H A D | setup_nscf.f90 | 43 nk1, nk2, nk3, k1, k2, k3 115 bg, nk1*nk2*nk3, k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk) 153 npk, k1, k2, k3, nk1, nk2, nk3, nkstot, xk, kunit)
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/dports/math/R-cran-deldir/deldir/inst/SavedRatfor/ |
H A D | swap.r | 46 nk2 = nadj(k2,0) globalVar 47 do jc = 1,nk2 { 51 call intpr("adjacency list of nxt:",-1,ntadj,nk2)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_setup_nscf.f90 | 40 nk1, nk2, nk3, k1, k2, k3 98 bg, nk1*nk2*nk3, k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk)
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/dports/science/wannier90/wannier90-3.1.0/utility/PL_assessment/ |
H A D | README | 18 ./PL_assess.x <nk1> <nk2> <nk3> <num_wann> 23 <nk2> is the number of k-points in y-direction
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