/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | pola_partial.f90 | 27 USE wvfct, ONLY : npwx, npw, nbnd, wg 78 p_basis_t(1:npw,1:numpw)=p_basis(1:npw,1:numpw) 81 call mergewf(p_basis(:,ii),evc_g,npw,ig_l2g,mpime,nproc,ionode_id,intra_pool_comm) 89 evc_t(1:npw,1:num_nbndv(ispin))=evc(1:npw,1:num_nbndv(ispin)) 92 call mergewf(evc(:,ii),evc_g,npw,ig_l2g,mpime,nproc,ionode_id,intra_pool_comm)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | solve_e_nscf.f90 | 51 integer :: npw, npwq, ibnd, ir, ig, nrec local 63 npw = ngk(ik) 64 npwq= npw ! note: q=0 72 do ig = 1, npw
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H A D | dvqhub_barepsi_us.f90 | 74 ikk, ikq, npw, npwq, ibeta local 99 npw = ngk(ikk) 116 CALL init_us_2 (npw, igk_k(1,ikk), xk(:,ikk), vkb_) 138 CALL dwfc (npw, igk_k(1,ikk), ikk, icart, & 183 CALL dwfc (npw, igk_k(1,ikk), ikk, icart, & 188 CALL swfc (npw, 1, vkb_, dwfcatom_, sdwfcatomk(:,ihubst)) 217 proj1(ibnd,ihubst) = ZDOTC (npw, swfcatomk(:,ihubst), 1, evc(:,ibnd), 1) 218 proj2(ibnd,ihubst) = ZDOTC (npw, dmqsphi(:,ihubst), 1, evc(:,ibnd), 1)
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H A D | dnsq_orth.f90 | 61 npw, npwq, ik, ikk, ikq local 132 npw = ngk(ikk) 151 CALL init_us_2 (npw, igk_k(1,ikk), xk(:,ikk), vkb) 164 proj1(ibnd,ihubst) = ZDOTC (npw, swfcatomk(:,ihubst), 1, evc(:,ibnd), 1) 187 CALL dwfc (npw, igk_k(:,ikk), ikk, icart, & 206 npwq, npw, dpqq) 208 npwq, npw, dpqq1)
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H A D | dpsi_orth.f90 | 47 INTEGER :: ikk, ikq, npw, npwq, i, j, k, icart, jcart, & local 58 npw = ngk(ikk) 79 npwq, npw, dpqq) 82 npwq, npw, dpqq1)
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H A D | add_zstar_ue_us.f90 | 41 INTEGER :: npw, npwq local 55 npw = ngk(ikk) 56 npwq = npw 59 call init_us_2 (npw, igk_k(1,ikk), xk (1, ikk), vkb)
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H A D | raman_mat.f90 | 45 il, ntm, ipol, npw, npwq local 118 npw = ngk(ik) 119 npwq = npw 121 call init_us_2 (npw, igk_k(1,ik), xk (1,ik), vkb) 189 call calbec (npw, vkb, evc, becp1(ik) ) 192 do ig = 1, npw 198 call calbec (npw, vkb, aux1, alphap (ipb,ik) )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_init_q.f90 | 46 INTEGER :: npw local 68 npw = ngk(ikk) 100 CALL init_us_2 (npw, igk_k(1,ikk), xk(1,ikk), vkb) 104 CALL calbec (npw, vkb, evc, becp1(ik))
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H A D | hp_dvpsi_pert.f90 | 50 INTEGER :: npw, npwq local 84 npw = ngk(ikk) 101 proj(ibnd, ihubst) = DOT_PRODUCT( swfcatomk(1:npw,ihubst ), evc(1:npw,ibnd) )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/ |
H A D | check_basis.f90 | 38 call davcio(p_basis(:,ii),npw*2,iungprod,ii,-1) 53 prod=2.d0*ddot(2*npw,p_basis(:,ii),1,p_basis(:,ii),1) 72 prod=2.d0*ddot(2*npw,p_basis(:,ii),1,p_basis(:,jj),1)
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/dports/science/healpix/Healpix_3.50/src/f90/ngsims_full_sky/ |
H A D | sky_sub.f90 | 80 Integer(I4B) :: l_max, npw local 95 npw = 4*nsmax + 1 97 l_max = min(l_max, npw - 1) 99 npw = l_max + 1 166 allocate(pixlw(0:npw-1,1:1), stat = status)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | usnldiag.f90 | 27 INTEGER, INTENT(in) :: npw local 41 numblock = (npw+blocksize-1)/blocksize 49 DO ig = (iblock-1)*blocksize+1, MIN(iblock*blocksize, npw) 76 DO ig = (iblock-1)*blocksize+1, MIN(iblock*blocksize, npw) 101 DO ig = (iblock-1)*blocksize+1, MIN(iblock*blocksize, npw)
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H A D | new_occ.f90 | 37 INTEGER :: ik, ibnd, jbnd, igroup, npw local 67 npw = ngk(ik) 80 ddot(2*npw, swfcatom (1, iatwfc), 1, evc (1, ibnd), 1) 84 proj(iatwfc,ibnd) = dot_product(swfcatom(1:npw,iatwfc),evc(1:npw,ibnd)) 87 dot_product(swfcatom(npwx+1:npwx+npw,iatwfc),evc(npwx+1:npwx+npw,ibnd))
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/ |
H A D | drhodv.f90 | 24 INTEGER :: nu_j, ibnd, ik, npw local 31 npw = ngk(ik) 43 CALL pw_dot('N',npw,nbnd,dvpsi,npwx,dpsi ,npwx,work)
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/dports/graphics/quickqanava/QuickQanava-ab88d77ec62175b9fd499a154ffaf92f7bf23989/src/ |
H A D | GraphPreview.qml | 78 let npw = 0. 82 npw = pw 86 npw = ph * graphRatio 88 // If npw is larger than actual preview width (pw), scale nph 89 if (npw > pw) 90 nph = nph * (pw / npw) 93 navigablePreview.width = Math.min(npw, pw)
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/ |
H A D | pw2wannier90.f90 | 1115 psic(nls (igk (1:npw) ) ) = evc (1:npw, m) 1116 if(gamma_only) psic(nlsm(igk (1:npw) ) ) = conjg(evc (1:npw, m)) 1402 allocate( gk(3,npw), qg(npw), ylm(npw,lmax2), sk(npw), radial(npw,0:lmax) ) 1404 do ig = 1, npw 1426 do ig=1,npw 1430 do ig=1,npw 1567 psic(nls (igk (1:npw) ) ) = evc (1:npw, ibnd) 1568 if (gamma_only) psic(nlsm(igk (1:npw) ) ) = conjg(evc (1:npw, ibnd)) 1698 do igv=1,npw 1707 do igv=1,npw [all …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/ |
H A D | pw2wannier90.f90 | 1115 psic(nls (igk (1:npw) ) ) = evc (1:npw, m) 1116 if(gamma_only) psic(nlsm(igk (1:npw) ) ) = conjg(evc (1:npw, m)) 1402 allocate( gk(3,npw), qg(npw), ylm(npw,lmax2), sk(npw), radial(npw,0:lmax) ) 1404 do ig = 1, npw 1426 do ig=1,npw 1430 do ig=1,npw 1567 psic(nls (igk (1:npw) ) ) = evc (1:npw, ibnd) 1568 if (gamma_only) psic(nlsm(igk (1:npw) ) ) = conjg(evc (1:npw, ibnd)) 1698 do igv=1,npw 1707 do igv=1,npw [all …]
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/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/silicon/ABINIT/01-scf/reference/ |
H A D | out | 202 P newkpt: treating 5 bands with npw= 1179 for ikpt= 1 by node 0 203 P newkpt: treating 5 bands with npw= 1156 for ikpt= 2 by node 0 204 P newkpt: treating 5 bands with npw= 1157 for ikpt= 3 by node 0 205 P newkpt: treating 5 bands with npw= 1150 for ikpt= 4 by node 0 206 P newkpt: treating 5 bands with npw= 1164 for ikpt= 5 by node 0 207 P newkpt: treating 5 bands with npw= 1154 for ikpt= 6 by node 0 208 P newkpt: treating 5 bands with npw= 1158 for ikpt= 7 by node 0 209 P newkpt: treating 5 bands with npw= 1152 for ikpt= 8 by node 0 210 P newkpt: treating 5 bands with npw= 1150 for ikpt= 9 by node 0 211 P newkpt: treating 5 bands with npw= 1148 for ikpt= 10 by node 0 [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | write_p_avg.f90 | 36 INTEGER :: spin_component, nks1, nks2, firstk, lastk, npw, ndim local 89 npw = ngk(ik) 90 CALL init_us_2 (npw, igk_k(1,ik), xk(1,ik), vkb) 96 CALL calbec ( npw, vkb, evc, becp, nbnd_occ ) 101 ndim = npw
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/CG/ |
H A D | ccgdiagg.f90 | 15 npwx, npw, nbnd, npol, psi, e, btype, & argument 40 INTEGER, INTENT(IN) :: npwx, npw, nbnd, npol, maxter local 74 kdim = npw 124 CALL s_1psi( npwx, npw, psi(1,m), spsi ) 152 CALL hs_1psi( npwx, npw, psi(1,m), hpsi, spsi ) 189 CALL s_1psi( npwx, npw, g(1), scg(1) ) 260 CALL hs_1psi( npwx, npw, cg(1), ppsi(1), scg(1) )
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/ |
H A D | fxc.py | 1457 npw = len(self.pd.G2_qG[iq]) 1458 fhxc_sGsG = np.zeros((ns * npw, ns * npw), complex) 1467 bd1 = bg1.new_descriptor(npw, ng, npw, 1469 bd2 = bg2.new_descriptor(npw, ng, -(-npw // mpi.world.size), 1493 fhxc_sGsG[npw + l_pw_range[0] + iG, :npw] = v_G.conj() 1496 fhxc_sGsG[:npw, npw:] = fhxc_sGsG[npw:, :npw] 1497 fhxc_sGsG[npw:, npw:] = fhxc_sGsG[:npw, :npw] 1537 npw = len(Gvec_Gc) 1541 fhxc_sGsG = np.zeros((ns * npw, ns * npw), dtype=complex) 1544 for jG in range(npw): [all …]
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/dports/devel/stack/stack-2.7.3/_cabal_deps/cryptonite-0.29/cbits/ |
H A D | cryptonite_pbkdf2.c | 189 static inline void PBKDF2(_name)(const uint8_t *pw, size_t npw, \ 199 HMAC_INIT(_name)(&ctx, pw, npw); \ 365 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha1() argument 371 PBKDF2(sha1)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha1() 374 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha256() argument 380 PBKDF2(sha256)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha256() 383 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha512() argument 389 PBKDF2(sha512)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha512()
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/dports/net-im/matterhorn/matterhorn-50200.13.0/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.c | 189 static inline void PBKDF2(_name)(const uint8_t *pw, size_t npw, \ 199 HMAC_INIT(_name)(&ctx, pw, npw); \ 365 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha1() argument 371 PBKDF2(sha1)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha1() 374 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha256() argument 380 PBKDF2(sha256)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha256() 383 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha512() argument 389 PBKDF2(sha512)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha512()
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/dports/finance/hs-hledger-web/hledger-web-1.19/_cabal_deps/cryptonite-0.27/cbits/ |
H A D | cryptonite_pbkdf2.c | 189 static inline void PBKDF2(_name)(const uint8_t *pw, size_t npw, \ 199 HMAC_INIT(_name)(&ctx, pw, npw); \ 365 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha1() argument 371 PBKDF2(sha1)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha1() 374 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha256() argument 380 PBKDF2(sha256)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha256() 383 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha512() argument 389 PBKDF2(sha512)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha512()
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/dports/devel/hs-hoogle/hoogle-5.0.18.2/_cabal_deps/cryptonite-0.26/cbits/ |
H A D | cryptonite_pbkdf2.c | 189 static inline void PBKDF2(_name)(const uint8_t *pw, size_t npw, \ 199 HMAC_INIT(_name)(&ctx, pw, npw); \ 365 void cryptonite_fastpbkdf2_hmac_sha1( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha1() argument 371 PBKDF2(sha1)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha1() 374 void cryptonite_fastpbkdf2_hmac_sha256( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha256() argument 380 PBKDF2(sha256)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha256() 383 void cryptonite_fastpbkdf2_hmac_sha512( const uint8_t *pw, size_t npw in cryptonite_fastpbkdf2_hmac_sha512() argument 389 PBKDF2(sha512)(pw, npw, salt, nsalt, iterations, out, nout); in cryptonite_fastpbkdf2_hmac_sha512()
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