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Searched refs:rirkr3 (Results 1 – 5 of 5) sorted by relevance

/dports/science/tinker/tinker/source/
H A Dedipole.f38 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
H A Dedipole3.f46 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
H A Dedipole1.f42 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)
H A Dedipole2.f35 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
/dports/science/openbabel/openbabel-3.1.1/src/forcefields/
H A Dforcefieldmm2.cpp409 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()