Searched refs:dsc7 (Results 1 – 7 of 7) sorted by relevance
/dports/science/tinker/tinker/other/ |
H A D | empole2.both | 233 real*8 dsc3,dsc5,dsc7 465 dsc7 = scale7 * dscale(kk) 678 & + 0.5d0 * rr9 * (gli(3)*psc7+glip(3)*dsc7) 682 gfi(5) = rr7 * (sci(4)*psc7+scip(4)*dsc7) 683 gfi(6) = -rr7 * (sci(3)*psc7+scip(3)*dsc7) 702 & - rr7*sc(6)*(uind(1,i)*psc7+uinp(1,i)*dsc7)) 705 & + rr7*sc(5)*(uind(1,k)*psc7+uinp(1,k)*dsc7))*0.5d0 716 & - rr7*sc(6)*(uind(2,i)*psc7+uinp(2,i)*dsc7)) 719 & + rr7*sc(5)*(uind(2,k)*psc7+uinp(2,k)*dsc7))*0.5d0 730 & - rr7*sc(6)*(uind(3,i)*psc7+uinp(3,i)*dsc7)) [all …]
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H A D | empole1.taper | 91 real*8 dsc3,dsc5,dsc7 312 dsc7 = scale7 * dscale(kk) 529 gfi(5) = rr7 * (sci(4)*psc7+scip(4)*dsc7) 530 gfi(6) = -rr7 * (sci(3)*psc7+scip(3)*dsc7) 885 real*8 dsc3,dsc5,dsc7 1103 dsc7 = scale7 * dscale(kk) 1848 real*8 dsc3,dsc5,dsc7 2059 dsc7 = 1.0d0 - scale7*dscale(kk) 2810 dsc7 = 1.0d0 - scale7*dscale(kk) 3708 real*8 dsc3,dsc5,dsc7 [all …]
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H A D | empole1.both | 119 real*8 dsc3,dsc5,dsc7 356 dsc7 = scale7 * dscale(kk) 1336 dsc7 = scale7 1347 dsc7 = dsc7 * dscale(kk) 1978 real*8 dsc3,dsc5,dsc7 2265 dsc7 = scale7 * dscale(kk) 3103 real*8 dsc3,dsc5,dsc7 3331 dsc7 = 1.0d0 - scale7*dscale(kk) 4138 dsc7 = 1.0d0 - scale7*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 2117 dsc7 = scale7 2125 dsc7 = scale7 * dscale(kk) 2143 bcn(3) = bn(3) - 15.0d0*(1.0d0-dsc7)*rr7
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/dports/science/tinker/tinker/source/ |
H A D | esolv1.f | 2562 real*8 dsc3,dsc5,dsc7,dsc9 local 2847 dsc7 = scale7 * dscale(kk) 3045 gfi(5) = rr7 * (sci(4)*psc7+scip(4)*dsc7) 3046 gfi(6) = -rr7 * (sci(3)*psc7+scip(3)*dsc7) 3313 gfi(5) = rr7 * (sci(4)*psc7+scip(4)*dsc7) 3314 gfi(6) = -rr7 * (sci(3)*psc7+scip(3)*dsc7) 3590 real*8 dsc3,dsc5,dsc7,dsc9 local 3877 dsc7 = scale7 * dscale(kk) 4075 gfi(5) = rr7 * (sci(4)*psc7+scip(4)*dsc7) 4076 gfi(6) = -rr7 * (sci(3)*psc7+scip(3)*dsc7) [all …]
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H A D | epolar1.f | 4162 real*8 dsc3,dsc5,dsc7 local 4563 dsc7 = 1.0d0 - sc7*dscale(k) 4571 dsr7 = dmpe(7) - dsc7*rr7 4699 & + (dsc5+1.5d0*dsc7)*rr7*xr 4712 & + (dsc5+1.5d0*dsc7)*rr7*yr 4725 & + (dsc5+1.5d0*dsc7)*rr7*zr 5739 dsc7 = 1.0d0 - sc7*dscale(k) 5747 dsr7 = dmpe(7) - dsc7*rr7 7022 real*8 dsc3,dsc5,dsc7 local 7439 dsc7 = 1.0d0 - sc7*dscale(k) [all …]
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H A D | induce.f | 2477 real*8 dsc3,dsc5,dsc7 local 2960 dsc7 = dmpik(7) 2968 dsc7 = dmpik(7) * dscale(k) 2976 dmp7 = dmpe(7) - (1.0d0-dsc7)*rr7
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