Searched refs:dsc3 (Results 1 – 7 of 7) sorted by relevance
/dports/science/tinker/tinker/other/ |
H A D | empole2.both | 233 real*8 dsc3,dsc5,dsc7 463 dsc3 = scale3 * dscale(kk) 673 & + (glip(1)+glip(6))*dsc3 700 & (- rr3*ck*(uind(1,i)*psc3+uinp(1,i)*dsc3) 703 & + (rr3*ci*(uind(1,k)*psc3+uinp(1,k)*dsc3) 714 & (- rr3*ck*(uind(2,i)*psc3+uinp(2,i)*dsc3) 717 & + (rr3*ci*(uind(2,k)*psc3+uinp(2,k)*dsc3) 728 & (- rr3*ck*(uind(3,i)*psc3+uinp(3,i)*dsc3) 731 & + (rr3*ci*(uind(3,k)*psc3+uinp(3,k)*dsc3) 823 ttm2i(1) = -rr3*(dixuk(1)*psc3+dixukp(1)*dsc3)*0.5d0 [all …]
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H A D | empole1.taper | 91 real*8 dsc3,dsc5,dsc7 310 dsc3 = scale3 * dscale(kk) 547 & (- rr3*ck*(uind(1,i)*psc3+uinp(1,i)*dsc3) 885 real*8 dsc3,dsc5,dsc7 1101 dsc3 = scale3 * dscale(kk) 1848 real*8 dsc3,dsc5,dsc7 2057 dsc3 = 1.0d0 - scale3*dscale(kk) 2808 dsc3 = 1.0d0 - scale3*dscale(kk) 3708 real*8 dsc3,dsc5,dsc7 3919 dsc3 = 1.0d0 - scale3*dscale(kk) [all …]
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H A D | empole1.both | 119 real*8 dsc3,dsc5,dsc7 354 dsc3 = scale3 * dscale(kk) 1334 dsc3 = scale3 1345 dsc3 = dsc3 * dscale(kk) 1978 real*8 dsc3,dsc5,dsc7 2263 dsc3 = scale3 * dscale(kk) 3103 real*8 dsc3,dsc5,dsc7 3329 dsc3 = 1.0d0 - scale3*dscale(kk) 4136 dsc3 = 1.0d0 - scale3*dscale(kk) 5115 real*8 dsc3,dsc5,dsc7 [all …]
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H A D | induce.no-tarray | 1807 real*8 dsc3,dsc5,dsc7 2115 dsc3 = scale3 2123 dsc3 = scale3 * dscale(kk) 2141 bcn(1) = bn(1) - (1.0d0-dsc3)*rr3
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/dports/science/tinker/tinker/source/ |
H A D | esolv1.f | 2562 real*8 dsc3,dsc5,dsc7,dsc9 local 2845 dsc3 = scale3 * dscale(kk) 3319 & (- rr3*ck*(uind(1,i)*psc3+uinp(1,i)*dsc3) 3322 & +(rr3*ci*(uind(1,k)*psc3+uinp(1,k)*dsc3) 3333 & (- rr3*ck*(uind(2,i)*psc3+uinp(2,i)*dsc3) 3336 & +(rr3*ci*(uind(2,k)*psc3+uinp(2,k)*dsc3) 3347 & (- rr3*ck*(uind(3,i)*psc3+uinp(3,i)*dsc3) 3350 & +(rr3*ci*(uind(3,k)*psc3+uinp(3,k)*dsc3) 3590 real*8 dsc3,dsc5,dsc7,dsc9 local 3875 dsc3 = scale3 * dscale(kk) [all …]
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H A D | epolar1.f | 4162 real*8 dsc3,dsc5,dsc7 local 4561 dsc3 = 1.0d0 - sc3*dscale(k) 4569 dsr3 = dmpe(3) - dsc3*rr3 4691 term1 = dmpe(5) - dsc3*rr5 5737 dsc3 = 1.0d0 - sc3*dscale(k) 5745 dsr3 = dmpe(3) - dsc3*rr3 5867 term1 = dmpe(5) - dsc3*rr5 7022 real*8 dsc3,dsc5,dsc7 local 7437 dsc3 = 1.0d0 - sc3*dscale(k) 7445 dsr3 = dmpe(3) - dsc3*rr3 [all …]
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H A D | induce.f | 2477 real*8 dsc3,dsc5,dsc7 local 2958 dsc3 = dmpik(3) 2966 dsc3 = dmpik(3) * dscale(k) 2974 dmp3 = dmpe(3) - (1.0d0-dsc3)*rr3
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