/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/sic/ |
H A D | pspw_sic.F | 403 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/sic/ |
H A D | pspw_sic.F | 403 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/ |
H A D | lcao_generate_vhxcmatrix.F | 6 > 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lcao/ |
H A D | lcao_generate_vhxcmatrix.F | 6 > 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/electron/ |
H A D | c_electron.F | 447 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/ |
H A D | electron.F | 481 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/ |
H A D | electron.F | 433 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/ |
H A D | paw_electron.F | 530 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/ |
H A D | paw_electron.F | 530 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/electron/ |
H A D | c_electron.F | 500 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | nominimize.F | 20 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | nominimize.F | 20 real*8 ehartree,eorbit,exc,pxc,eion 114 pxc = rho_1pxc() 118 pxc = pxc + psi_1meta_gga_pxc() 131 E(10) = pxc
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/dports/x11-wm/e16/e16-1.0.24/dox/ |
H A D | dox.h | 28 #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);
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | inner_loop_cprmd.F | 48 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,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | inner_loop_cprmd.F | 48 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,
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H A D | inner_loop.F | 63 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
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/dports/math/reduce/Reduce-svn5758-src/psl/dist/distrib/ |
H A D | compile-psl.bat.0 | 7 %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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
H A D | inner_loop_ofpw.F | 44 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/ |
H A D | band_inner_loop.F | 39 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/ |
H A D | band_inner_loop.F | 39 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/ |
H A D | inner_loop_ofpw.F | 44 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/minimizer/ |
H A D | c_nominimize.F | 15 real*8 ehartree,eorbit,exc,pxc,eion,ehfx,phfx 66 pxc = c_rho_1pxc() 77 E(10) = pxc
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/minimizer/ |
H A D | c_nominimize.F | 15 real*8 ehartree,eorbit,exc,pxc,eion,ehfx,phfx 66 pxc = c_rho_1pxc() 77 E(10) = pxc
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/dports/security/nmap/nmap-7.91/nsock/src/ |
H A D | nsock_proxy.c | 93 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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/dports/security/ncrack/ncrack-0.7/nsock/src/ |
H A D | nsock_proxy.c | 93 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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