/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/PPCG/ |
H A D | ppcg_k.f90 | 3 npwx, npw, nbnd, npol, psi, e, btype, & argument 22 INTEGER, INTENT(IN) :: npwx, npw, nbnd, npol, maxter local 32 REAL (DP), INTENT(IN) :: precondition(npw), ethr 109 kdim = npwx*(npol-1) + npw 111 clean = (npw < npwx) .AND. ( npol == 2 ) 136 CALL h_psi( npwx, npw, nbnd, psi, hpsi ) ; if (clean) hpsi(npw+1:npwx,:) = C_ZERO 137 if (overlap) CALL s_psi( npwx, npw, nbnd, psi, spsi) ; if (clean) spsi(npw+1:npwx,:) = C_ZERO 201 w(1+(i-1)*blocksz+npwx*ipol:MIN(i*blocksz,npw)+npwx*ipol, act_idx(j)) = & 203 precondition(1+(i-1)*blocksz:MIN(i*blocksz,npw)) 235 …CALL h_psi( npwx, npw, nact, buffer1, buffer ) ; if (clean) buffer (npw+1:npwx,1:nact) = C_Z… [all …]
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | bands.f90 | 172 INTEGER :: ibnd, jbnd, i, ik, ig, ig1, ig2, ipol, npw, ngmax, jmax local 241 npw = ngk(ik) 242 CALL init_us_2 (npw, igk_k(1,ik), xk(1,ik), vkb) 243 CALL calbec ( npw, vkb, evc, becp ) 261 DO ig2 = 1, npw 270 DO ig2 = 1, npw 274 DO ig2 = 1, npw 340 CALL s_psi( npwx, npw, nbnd, evc, spsi )
|
H A D | local_dos_mag.f90 | 45 INTEGER :: ikb, jkb, ijkb0, ih, jh, ijh, na, np, npw local 82 npw = ngk(ik) 84 IF (nkb > 0) CALL init_us_2 (npw, igk_k(1,ik), xk (1, ik), vkb) 85 CALL calbec ( npw, vkb, evc, becp_nc) 90 DO ig = 1, npw
|
H A D | pw2critic.f90 | 55 INTEGER :: ios, i, j, ibnd, ik, is, lu1, n1, n2, n3, nk, npw variable 151 npw = ngk(ik) 154 write (lu1) evc(1:npw,ibnd)
|
H A D | local_dos1d.f90 | 45 INTEGER :: npw, ikb, jkb, ijkb0, ih, jh, na, ijh, ipol, np local 81 npw = ngk(ik) 90 DO ig = 1, npw 107 DO ig = 1, npw
|
H A D | pw2bgw.f90 | 707 npw = ngk ( ik ) 708 DO ig = 1, npw 1468 DO ig = 1, npw 1900 DO ig = 1, npw 1917 DO ig = 1, npw 2090 DO ig = 1, npw 2099 DO ig = 1, npw 2103 DO ig = 1, npw 2602 npw = ngk ( ik ) 2603 DO ig = 1, npw [all …]
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | mp_wave_parallel.f90 | 17 SUBROUTINE mergewfp ( npw,pw, pwt, ngwl, ig_l2g, mpime, nproc, root, comm ) argument 30 INTEGER, INTENT(in) :: npw,ngwl local 31 COMPLEX(DP), intent(in) :: PW(npw,nproc) 149 SUBROUTINE splitwfp (npw, pw, pwt, ngwl, ig_l2g, mpime, nproc,root, comm ) argument 160 INTEGER, INTENT(in) :: npw,nproc local 161 COMPLEX(DP), INTENT(OUT) :: PW(npw,nproc)
|
H A D | pw4gww.f90 | 616 npw = npwx 617 call gk_sort (xk (1, ik+iks-1), ngm, g, gcutw, npw, kisort(1), g2kin) 621 DO ig = 1, npw 627 igk_l2g( npw+1 : npwx, ik ) = 0 629 ngk (ik) = npw 746 CALL init_us_2(npw, igk_k(1,ik-iks+1), xk(1, ik), vkb) 752 CALL calbec ( npw, vkb, evc, becp ) 754 CALL s_psi(npwx, npw, nbnd, evc, sevc)
|
H A D | calculate_wing.f90 | 25 USE wvfct, ONLY : npwx, npw 63 do ig=gstart,npw 102 allocate(e_head(npw, n_g+1,3)) 108 … call splitwf(e_head(:, ii,ipol),e_head_g0,npw,k2g_ig_l2g,mpime,nproc,ionode_id,intra_pool_comm)
|
/dports/x11-drivers/xorgxrdp/xrdp-0.9.17/sesman/libscp/ |
H A D | libscp_v1s.h | 68 scp_v1s_request_pwd_change(struct trans *t, char *reason, char *npw); 72 scp_v1s_pwd_change_error(struct trans *t, char *error, int retry, char *npw);
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/DENSE/ |
H A D | rotate_HSpsi_gamma.f90 | 31 npw, & ! dimension of the matrices (psi,Hpsi,Spsi) to be rotated local 61 kdim = 2 * npw 206 npw, & ! dimension of the matrices (psi,Hpsi,Spsi) to be rotated local 249 kdim = 2 * npw 252 npw_s = 1; npw_e = npw ; 253 …IF ( ortho_parent_comm .ne. intra_bgrp_comm ) CALL divide_all( inter_bgrp_comm, npw, npw_s, npw_e,… 386 …IF ( gstart == 2 .AND. npw_e == npw ) CALL DGER( nr,nc, -1.D0, v(1,ir),kdmx,w(1,ic),kdmx, work, nx…
|
/dports/science/berkeleygw/BGW-2.0.0/MeanField/ESPRESSO/version-5.1/ |
H A D | pw2bgw.f90 | 711 npw = npwx 714 DO ig = 1, npw 720 ngk ( ik ) = npw 1399 DO ig = 1, npw 1733 DO ig = 1, npw 1762 DO ig = 1, npw 1961 DO ig = 1, npw 2433 npw = npwx 2436 DO ig = 1, npw 2439 ngk ( ik ) = npw [all …]
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | exx.f90 | 1730 npw = ngk(ik) 1860 INTEGER :: npw local 1891 npw = ngk (ikk) 2209 npw = ngk(ikk) 2508 npw = ngk(ikk) 3002 npw = ngk(ik) 3422 INTEGER :: npw local 3560 DO ig = 1, npw 3794 INTEGER :: npw local 3877 DO ig = 1, npw [all …]
|
H A D | update_pot.f90 | 638 INTEGER :: npw, ik, zero_ew, lwork, info local 728 npw = ngk (ik) 735 IF ( nkb > 0 ) CALL init_us_2( npw, igk_k(1,ik), xk(1,ik), vkb ) 736 CALL calbec( npw, vkb, evc, becp ) 737 CALL s_psi ( npwx, npw, nbnd, evc, aux ) 751 CALL calbec ( npw, aux, evcold, rp_m ) 757 CALL calbec ( npw, aux, evcold, sp_m ) 780 CALL ZGEMM( 'N', 'C', npw, nbnd, nbnd, ONE, & 806 CALL ZGEMM( 'N', 'C', npw, nbnd, nbnd, ONE, &
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
H A D | incdrhoscf_nc.f90 | 61 INTEGER :: npw, npwq, ikk, ikq local 75 npw = ngk(ikk) 113 DO ig = 1, npw 159 do ig = 1, npw
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/ |
H A D | absorption.f90 | 249 rpsiv%a(1:rpsiv%npw,iv)=psibar(1:npw,iv)
|
/dports/www/h2o-devel/h2o-dcc7134/deps/picotls/deps/cifra/src/ |
H A D | pbkdf2.c | 56 void cf_pbkdf2_hmac(const uint8_t *pw, size_t npw, in cf_pbkdf2_hmac() argument 71 cf_hmac_init(&ctx, hash, pw, npw); in cf_pbkdf2_hmac()
|
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/ |
H A D | abinit2qmc.cpp | 186 int npw() { in npw() function in WF_kpoint 539 int npw=read_int(wffile); in skip_wf() local 1027 int npw=read_int(wffile); in read_wf_from_wfk() local 1032 if(gvec.size() > 0 && gvec.size()!=npw) { in read_wf_from_wfk() 1036 gvec.resize(npw); in read_wf_from_wfk() 1040 int * tmpgvecs=new int[3*npw]; in read_wf_from_wfk() 1041 uread(tmpgvecs,3*npw,wffile); in read_wf_from_wfk() 1044 for(int g=0; g< npw; g++) { in read_wf_from_wfk() 1076 vector <complex <double> > tmpvec(npw); in read_wf_from_wfk() 1081 uread(tmpcoeff,2*npw*nspinor,wffile); in read_wf_from_wfk() [all …]
|
/dports/sysutils/vector/vector-0.10.0/cargo-crates/krb5-src-0.2.4+1.18.2/krb5/src/tests/dejagnu/krb-standalone/ |
H A D | kadmin.exp | 655 proc kpasswd_cpw { princ opw npw } { argument 662 fail "kpasswd $princ $npw" 667 fail "kpasswd $princ $npw" 678 expect "Enter new password:" { send "$npw\r" } 679 expect "Enter it again:" { send "$npw\r" } 686 fail "kpasswd $princ $npw" 689 pass "kpasswd $princ $npw"
|
/dports/security/krb5/krb5-1.19.2/src/tests/dejagnu/krb-standalone/ |
H A D | kadmin.exp | 655 proc kpasswd_cpw { princ opw npw } { argument 662 fail "kpasswd $princ $npw" 667 fail "kpasswd $princ $npw" 678 expect "Enter new password:" { send "$npw\r" } 679 expect "Enter it again:" { send "$npw\r" } 686 fail "kpasswd $princ $npw" 689 pass "kpasswd $princ $npw"
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | adddvhubscf.f90 | 57 INTEGER :: npw, npwq, ikk, ikq, op_spin local 78 npw = ngk(ikk) 110 proj1(ibnd,ihubst) = ZDOTC (npw, swfcatomk(:,ihubst), 1, evc(:,ibnd), 1)
|
H A D | ahc.f90 | 164 INTEGER :: ikk, ikq, npw, npwq, nrec, ibnd, imode, jmode local 196 npw = ngk(ikk) 357 INTEGER :: npw local 377 npw = ngk(ikk) 391 DO ig = 1, npw 396 DO ig = 1, npw 578 INTEGER :: npw local 631 npw = ngk(ikk) 717 DO jg = 1, npw 852 DO jg = 1, npw
|
/dports/multimedia/librist/librist-5c1f4a06ab46e16e6bba42fe7381d8353020a1fd/contrib/ |
H A D | fastpbkdf2.c | 240 static inline void PBKDF2(_name)(const uint8_t *pw, size_t npw, \ 250 HMAC_INIT(_name)(&ctx, pw, npw); \ 315 void fastpbkdf2_hmac_sha256(const uint8_t *pw, size_t npw, in fastpbkdf2_hmac_sha256() argument 320 PBKDF2(sha256)(pw, npw, salt, nsalt, iterations, out, nout); in fastpbkdf2_hmac_sha256()
|
/dports/devel/plan9port/plan9port-1f098efb7370a0b28306d10681e21883fb1c1507/src/cmd/auth/factotum/ |
H A D | apop.c | 40 int astype, nchal, npw, ntry, ret; in apopclient() local 78 npw = strlen(pw); in apopclient() 83 md5((uchar*)pw, npw, resp, ds); in apopclient() 86 hmac_md5((uchar*)chal, nchal, (uchar*)pw, npw, resp, nil); in apopclient()
|
/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/GaAs/abinit/reference/03-Wfnq/ |
H A D | GaAs.out | 161 P newkpt: treating 5 bands with npw= 164 for ikpt= 1 by node 0 162 P newkpt: treating 5 bands with npw= 162 for ikpt= 2 by node 0 163 P newkpt: treating 5 bands with npw= 162 for ikpt= 3 by node 0 164 P newkpt: treating 5 bands with npw= 164 for ikpt= 4 by node 0 165 P newkpt: treating 5 bands with npw= 164 for ikpt= 5 by node 0 166 P newkpt: treating 5 bands with npw= 164 for ikpt= 6 by node 1 167 P newkpt: treating 5 bands with npw= 164 for ikpt= 7 by node 1 168 P newkpt: treating 5 bands with npw= 162 for ikpt= 8 by node 1 169 P newkpt: treating 5 bands with npw= 164 for ikpt= 9 by node 1 170 P newkpt: treating 5 bands with npw= 162 for ikpt= 10 by node 1
|