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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dfermisurface.f90104 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 )
H A Ddos.f9037 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)
/dports/science/py-scipy/scipy-1.7.1/scipy/interpolate/fitpack/
H A Dfpchep.f22 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)
H A Dfpchec.f22 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
H A Dsplder.f67 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
H A Dfpched.f24 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
H A Dfpadpo.f17 integer i,ii,j,jj,k1,l,l1,n1,n2,nk1,nk2 local
46 nk2 = nk1-1
47 do 60 l=k1,nk2
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dtetra.f9074 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 …]
H A Dbp_strings.f909 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 )
H A Dorbm_kubo.f9037 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 …]
H A Dstart_k.f9022 INTEGER :: nk2 variable
60 nk1 = 0; nk2 = 0; nk3 = 0; k1 = 0; k2 = 0; k3 = 0
105 nk2 = nk2_
H A Da2fmod.f9029 USE start_k, ONLY : nk1, nk2, nk3
48 WRITE( iuna2Fsave, * ) nk1, nk2, nk3
H A Dsetup.f9058 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)
H A Dscale_h.f9025 USE start_k, ONLY : nks_start, xk_start, nk1,nk2,nk3
50 IF ( nk1==0 .AND. nk2==0 .AND. nk3 == 0 .AND. &
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Delph_scdft_mod.f9041 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 …]
/dports/misc/vxl/vxl-3.3.2/contrib/mul/vil3d/algo/
H A Dvil3d_gauss_reduce.hxx60 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()
/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/src/
H A Dsummary_tran.f9047 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
/dports/misc/vxl/vxl-3.3.2/contrib/mul/vimt3d/tests/
H A Dtest_gauss_reduce.cxx31 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()
/dports/biology/gatk/gatk-4.2.0.0/scripts/funcotator/testing/
H A DcompareTwoReferenceDictionaries.sh132 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}
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/topological/
H A Dspillage.py79 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,
/dports/misc/vxl/vxl-3.3.2/contrib/mul/tools/
H A Dmultiplane_image.cxx89 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()
/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Dsetup_nscf.f9043 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)
/dports/math/R-cran-deldir/deldir/inst/SavedRatfor/
H A Dswap.r46 nk2 = nadj(k2,0) globalVar
47 do jc = 1,nk2 {
51 call intpr("adjacency list of nxt:",-1,ntadj,nk2)
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_setup_nscf.f9040 nk1, nk2, nk3, k1, k2, k3
98 bg, nk1*nk2*nk3, k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk)
/dports/science/wannier90/wannier90-3.1.0/utility/PL_assessment/
H A DREADME18 ./PL_assess.x <nk1> <nk2> <nk3> <num_wann>
23 <nk2> is the number of k-points in y-direction

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