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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/sic/
H A Dpspw_sic.F403 if (ispin.eq.1) pxc= pxc + pxc
405 pxc = pxc*dv
583 if (ispin.eq.1) pxc= pxc + pxc
585 pxc = pxc*dv
588 pxsic = pxsic - pxc
891 pxc = 0.0d0
894 pxc = pxc + dbl_mb(M(1)+index)
901 pxc = 0.0d0
903 pxc = pxc + dbl_mb(b(1)+i-1)
1069 if (ispin.eq.1) pxc= pxc + pxc
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/sic/
H A Dpspw_sic.F403 if (ispin.eq.1) pxc= pxc + pxc
405 pxc = pxc*dv
583 if (ispin.eq.1) pxc= pxc + pxc
585 pxc = pxc*dv
588 pxsic = pxsic - pxc
891 pxc = 0.0d0
894 pxc = pxc + dbl_mb(M(1)+index)
901 pxc = 0.0d0
903 pxc = pxc + dbl_mb(b(1)+i-1)
1069 if (ispin.eq.1) pxc= pxc + pxc
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/
H A Dlcao_generate_vhxcmatrix.F6 > ehartr,exc,pxc) argument
13 real*8 ehartr,exc,pxc local
100 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
104 pxc= pxc + pxc
110 pxc= pxc + pxc2
113 pxc = pxc*dv
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lcao/
H A Dlcao_generate_vhxcmatrix.F6 > ehartr,exc,pxc)
13 real*8 ehartr,exc,pxc
100 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
104 pxc= pxc + pxc
110 pxc= pxc + pxc2
113 pxc = pxc*dv
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/electron/
H A Dc_electron.F447 pxc= pxc + pxc
456 pxc= pxc + pxc2
459 pxc = pxc*dv
629 real*8 pxc,pxc2,dv
646 pxc= pxc + pxc
651 pxc= pxc + pxc2
653 pxc = pxc*dv
676 real*8 pxc,pxc2,dv
693 pxc= pxc + pxc
698 pxc= pxc + pxc2
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/
H A Delectron.F481 pxc = e2
484 pxc= pxc + pxc
495 pxc = pxc + pxc2
498 pxc = pxc*dv
502 pxc = pxc + nwpw_meta_gga_pxc(ispin,neq,psi_k)
901 pxc= pxc + pxc
908 pxc= pxc + pxc2
912 pxc = pxc*dv
953 pxc = pxc + pxc
958 pxc = (pxc + pxc2)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/
H A Delectron.F433 pxc = e2
436 pxc= pxc + pxc
447 pxc = pxc + pxc2
450 pxc = pxc*dv
454 pxc = pxc + nwpw_meta_gga_pxc(ispin,neq,psi_k)
787 pxc= pxc + pxc
794 pxc= pxc + pxc2
798 pxc = pxc*dv
839 pxc = pxc + pxc
844 pxc = (pxc + pxc2)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/
H A Dpaw_electron.F530 real*8 pxc,pxc2,dv local
546 > pxc)
548 pxc= pxc + pxc
553 pxc= pxc + pxc2
555 pxc = pxc*dv
558 paw_electron_pxc = pxc
578 real*8 pxc,pxc2,dv local
593 > pxc)
595 pxc = pxc + pxc
600 pxc = (pxc + pxc2)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/
H A Dpaw_electron.F530 real*8 pxc,pxc2,dv
546 > pxc)
548 pxc= pxc + pxc
553 pxc= pxc + pxc2
555 pxc = pxc*dv
558 paw_electron_pxc = pxc
578 real*8 pxc,pxc2,dv
593 > pxc)
595 pxc = pxc + pxc
600 pxc = (pxc + pxc2)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/electron/
H A Dc_electron.F500 pxc= pxc + pxc
509 pxc= pxc + pxc2
512 pxc = pxc*dv
860 real*8 pxc,pxc2,dv
877 pxc= pxc + pxc
882 pxc= pxc + pxc2
884 pxc = pxc*dv
907 real*8 pxc,pxc2,dv
924 pxc= pxc + pxc
929 pxc= pxc + pxc2
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/
H A Dnominimize.F20 real*8 ehartree,eorbit,exc,pxc,eion
131 pxc = rho_1pxc()
137 pxc = rho_1pxc()
141 pxc = pxc + psi_1meta_gga_pxc()
154 E(10) = pxc
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/
H A Dnominimize.F20 real*8 ehartree,eorbit,exc,pxc,eion
114 pxc = rho_1pxc()
118 pxc = pxc + psi_1meta_gga_pxc()
131 E(10) = pxc
/dports/x11-wm/e16/e16-1.0.24/dox/
H A Ddox.h28 #define EAllocColor(pxc) \ argument
29 XAllocColor(disp, VRoot.cmap, pxc)
67 void ESetColor(XColor * pxc, int r, int g, int b);
68 void EGetColor(XColor * pxc, int *pr, int *pg, int *pb);
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dinner_loop_cprmd.F48 real*8 exc,exc2,pxc,pxc2,dte,dte0,scal1,scal2,dv,dt,fmass,h local
547 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
550 pxc= pxc + pxc
556 pxc= pxc + pxc2
559 pxc = pxc*dv
562 pxc = pxc + nwpw_meta_gga_pxc(ispin,neq,psi1)
585 E(2) = eorbit + eion + exc - ehartr - pxc + espring
686 > enlocal,exc,pxc,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dinner_loop_cprmd.F48 real*8 exc,exc2,pxc,pxc2,dte,dte0,scal1,scal2,dv,dt,fmass,h
547 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
550 pxc= pxc + pxc
556 pxc= pxc + pxc2
559 pxc = pxc*dv
562 pxc = pxc + nwpw_meta_gga_pxc(ispin,neq,psi1)
585 E(2) = eorbit + eion + exc - ehartr - pxc + espring
686 > enlocal,exc,pxc,
H A Dinner_loop.F63 real*8 exc,exc2,pxc,pxc2,dte,scal1,scal2,dv,dt
668 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
671 pxc= pxc + pxc
677 pxc= pxc + pxc2
680 pxc = pxc*dv
683 pxc = pxc + nwpw_meta_gga_pxc(ispin,ne,psi1)
731 E(1) = eorbit + eion + exc - ehartr - pxc
740 E(10) = pxc
/dports/math/reduce/Reduce-svn5758-src/psl/dist/distrib/
H A Dcompile-psl.bat.07 %pxdist%\make-lap.bat %pxc% sys-consts
117 %pxdist%\make-lap.bat %pxc% muls
182 %pxdist%\make-lap.bat %pxc% tags
183 %pxdist%\make-lap.bat %pxc% sys-dm
188 %pxdist%\make-lap.bat %pxc% mingw-w64-asm
191 %pxdist%\make-lap.bat %pxc% mingw-w64-lap
192 %pxdist%\make-lap.bat %pxc% lap-to-asm
193 %pxdist%\make-lap.bat %pxc% nbittab
194 %pxdist%\make-lap.bat %pxc% carcdrnil
195 %pxdist%\make-lap.bat %pxc% compiler
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/
H A Dinner_loop_ofpw.F44 real*8 exc,exc2,pxc,pxc2,dte,scal1,scal2,dv,dt local
457 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
460 pxc= pxc + pxc
466 pxc= pxc + pxc2
469 pxc = pxc*dv
543 E(1) = eorbit + eion +exc+etf+ewgc-ehartr-pxc-ptf-pwgc
552 E(10) = pxc
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/
H A Dband_inner_loop.F39 real*8 exc,exc2,pxc,pxc2,dte,scal1,scal2,dv,dt
504 call C3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
507 pxc= pxc + pxc
513 pxc= pxc + pxc2
516 pxc = pxc*dv
538 E(1) = eorbit + eion + exc - ehartr - pxc
547 E(10) = pxc
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/
H A Dband_inner_loop.F39 real*8 exc,exc2,pxc,pxc2,dte,scal1,scal2,dv,dt
452 call C3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
455 pxc= pxc + pxc
461 pxc= pxc + pxc2
464 pxc = pxc*dv
486 E(1) = eorbit + eion + exc - ehartr - pxc
495 E(10) = pxc
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/
H A Dinner_loop_ofpw.F44 real*8 exc,exc2,pxc,pxc2,dte,scal1,scal2,dv,dt
457 call D3dB_rr_dot(1,dn(1,1),dbl_mb(xcp(1)),pxc)
460 pxc= pxc + pxc
466 pxc= pxc + pxc2
469 pxc = pxc*dv
543 E(1) = eorbit + eion +exc+etf+ewgc-ehartr-pxc-ptf-pwgc
552 E(10) = pxc
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/minimizer/
H A Dc_nominimize.F15 real*8 ehartree,eorbit,exc,pxc,eion,ehfx,phfx
66 pxc = c_rho_1pxc()
77 E(10) = pxc
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/minimizer/
H A Dc_nominimize.F15 real*8 ehartree,eorbit,exc,pxc,eion,ehfx,phfx
66 pxc = c_rho_1pxc()
77 E(10) = pxc
/dports/security/nmap/nmap-7.91/nsock/src/
H A Dnsock_proxy.c93 struct proxy_chain *pxc, **pchain = (struct proxy_chain **)chain; in nsock_proxychain_new() local
97 pxc = (struct proxy_chain *)safe_malloc(sizeof(struct proxy_chain)); in nsock_proxychain_new()
98 gh_list_init(&pxc->nodes); in nsock_proxychain_new()
105 gh_list_append(&pxc->nodes, &parser->value->nodeq); in nsock_proxychain_new()
112 if (nsock_pool_set_proxychain(nspool, pxc) < 0) { in nsock_proxychain_new()
113 nsock_proxychain_delete(pxc); in nsock_proxychain_new()
118 *pchain = pxc; in nsock_proxychain_new()
/dports/security/ncrack/ncrack-0.7/nsock/src/
H A Dnsock_proxy.c93 struct proxy_chain *pxc, **pchain = (struct proxy_chain **)chain; in nsock_proxychain_new() local
97 pxc = (struct proxy_chain *)safe_malloc(sizeof(struct proxy_chain)); in nsock_proxychain_new()
98 gh_list_init(&pxc->nodes); in nsock_proxychain_new()
105 gh_list_append(&pxc->nodes, &parser->value->nodeq); in nsock_proxychain_new()
112 if (nsock_pool_set_proxychain(nspool, pxc) < 0) { in nsock_proxychain_new()
113 nsock_proxychain_delete(pxc); in nsock_proxychain_new()
118 *pchain = pxc; in nsock_proxychain_new()

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