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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Dpola_partial.f9027 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)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dsolve_e_nscf.f9051 integer :: npw, npwq, ibnd, ir, ig, nrec local
63 npw = ngk(ik)
64 npwq= npw ! note: q=0
72 do ig = 1, npw
H A Ddvqhub_barepsi_us.f9074 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)
H A Ddnsq_orth.f9061 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)
H A Ddpsi_orth.f9047 INTEGER :: ikk, ikq, npw, npwq, i, j, k, icart, jcart, & local
58 npw = ngk(ikk)
79 npwq, npw, dpqq)
82 npwq, npw, dpqq1)
H A Dadd_zstar_ue_us.f9041 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)
H A Draman_mat.f9045 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) )
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_init_q.f9046 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))
H A Dhp_dvpsi_pert.f9050 INTEGER :: npw, npwq local
84 npw = ngk(ikk)
101 proj(ibnd, ihubst) = DOT_PRODUCT( swfcatomk(1:npw,ihubst ), evc(1:npw,ibnd) )
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/
H A Dcheck_basis.f9038 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)
/dports/science/healpix/Healpix_3.50/src/f90/ngsims_full_sky/
H A Dsky_sub.f9080 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)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dusnldiag.f9027 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)
H A Dnew_occ.f9037 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))
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/
H A Ddrhodv.f9024 INTEGER :: nu_j, ibnd, ik, npw local
31 npw = ngk(ik)
43 CALL pw_dot('N',npw,nbnd,dvpsi,npwx,dpsi ,npwx,work)
/dports/graphics/quickqanava/QuickQanava-ab88d77ec62175b9fd499a154ffaf92f7bf23989/src/
H A DGraphPreview.qml78 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)
/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/
H A Dpw2wannier90.f901115 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 …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/
H A Dpw2wannier90.f901115 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 …]
/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/silicon/ABINIT/01-scf/reference/
H A Dout202 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 …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dwrite_p_avg.f9036 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
/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/CG/
H A Dccgdiagg.f9015 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) )
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/xc/
H A Dfxc.py1457 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 …]
/dports/devel/stack/stack-2.7.3/_cabal_deps/cryptonite-0.29/cbits/
H A Dcryptonite_pbkdf2.c189 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()
/dports/net-im/matterhorn/matterhorn-50200.13.0/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.c189 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()
/dports/finance/hs-hledger-web/hledger-web-1.19/_cabal_deps/cryptonite-0.27/cbits/
H A Dcryptonite_pbkdf2.c189 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()
/dports/devel/hs-hoogle/hoogle-5.0.18.2/_cabal_deps/cryptonite-0.26/cbits/
H A Dcryptonite_pbkdf2.c189 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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