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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/PPCG/
H A Dppcg_k.f903 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 Dbands.f90172 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 Dlocal_dos_mag.f9045 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 Dpw2critic.f9055 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 Dlocal_dos1d.f9045 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 Dpw2bgw.f90707 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 Dmp_wave_parallel.f9017 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 Dpw4gww.f90616 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 Dcalculate_wing.f9025 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 Dlibscp_v1s.h68 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 Drotate_HSpsi_gamma.f9031 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 Dpw2bgw.f90711 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 Dexx.f901730 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 Dupdate_pot.f90638 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 Dincdrhoscf_nc.f9061 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 Dabsorption.f90249 rpsiv%a(1:rpsiv%npw,iv)=psibar(1:npw,iv)
/dports/www/h2o-devel/h2o-dcc7134/deps/picotls/deps/cifra/src/
H A Dpbkdf2.c56 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 Dabinit2qmc.cpp186 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 Dkadmin.exp655 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 Dkadmin.exp655 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 Dadddvhubscf.f9057 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 Dahc.f90164 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 Dfastpbkdf2.c240 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 Dapop.c40 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 DGaAs.out161 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

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