Searched refs:rirkr3 (Results 1 – 5 of 5) sorted by relevance
/dports/science/tinker/tinker/source/ |
H A D | edipole.f | 38 real*8 e,ri2,rk2,rirkr3 local 98 rirkr3 = sqrt(ri2*rk2*r2) * r2 103 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3 174 rirkr3 = sqrt(ri2*rk2*r2) * r2 185 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
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H A D | edipole3.f | 46 real*8 e,ri2,rk2,rirkr3 local 122 rirkr3 = sqrt(ri2*rk2*r2) * r2 127 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3 228 rirkr3 = sqrt(ri2*rk2*r2) * r2 239 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
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H A D | edipole1.f | 42 real*8 e,r2,ri2,rk2,rirkr3 local 125 rirkr3 = sqrt(ri2*rk2*r2) * r2 133 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3 134 de = -fik / (rirkr3*r2) 306 rirkr3 = sqrt(ri2*rk2*r2) * r2 320 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3 321 de = -fik / (rirkr3*r2)
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H A D | edipole2.f | 35 real*8 e,r2,ri2,rk2,rirkr3 local 146 rirkr3 = sqrt(ri2*rk2*r2) * r2 213 de = -fik / (rirkr3*r2) 238 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3 778 rirkr3 = sqrt(ri2*rk2*r2) * r2 851 de = -fik / (rirkr3*r2) 876 e = fik * (dotp-3.0d0*doti*dotk/r2) / rirkr3
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/dports/science/openbabel/openbabel-3.1.1/src/forcefields/ |
H A D | forcefieldmm2.cpp | 409 double e, energy, dipole, dipole2, r2, ri2, rk2, rirkr3, dotp, doti, dotk, fik; in E_Electrostatic() local 464 rirkr3 = sqrt(ri2 * rk2 * r2) * r2; in E_Electrostatic() 470 e = fik * (dotp - 3.0 * doti * dotk/r2) / rirkr3; in E_Electrostatic()
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