Searched refs:uslj_rsq (Results 1 – 6 of 6) sorted by relevance
192 numtyp uslj_rsq; in k_gayberne() local216 uslj_rsq = temp1*sigma12*sigma12*sigma12*(numtyp)0.5; in k_gayberne()218 uslj_rsq = uslj_rsq*ir*ir; in k_gayberne()220 dUr[0] = temp1*r12[0]+uslj_rsq*(kappa[0]-temp2*r12[0]); in k_gayberne()221 dUr[1] = temp1*r12[1]+uslj_rsq*(kappa[1]-temp2*r12[1]); in k_gayberne()222 dUr[2] = temp1*r12[2]+uslj_rsq*(kappa[2]-temp2*r12[2]); in k_gayberne()228 tempv[0] = -uslj_rsq*kappa[0]; in k_gayberne()229 tempv[1] = -uslj_rsq*kappa[1]; in k_gayberne()230 tempv[2] = -uslj_rsq*kappa[2]; in k_gayberne()
138 numtyp uslj_rsq; in k_gayberne_sphere_ellipsoid() local162 uslj_rsq = temp1*sigma12*sigma12*sigma12*(numtyp)0.5; in k_gayberne_sphere_ellipsoid()164 uslj_rsq = uslj_rsq*ir*ir; in k_gayberne_sphere_ellipsoid()166 dUr[0] = temp1*r12hat[0]+uslj_rsq*(kappa[0]-temp2*r12hat[0]); in k_gayberne_sphere_ellipsoid()167 dUr[1] = temp1*r12hat[1]+uslj_rsq*(kappa[1]-temp2*r12hat[1]); in k_gayberne_sphere_ellipsoid()168 dUr[2] = temp1*r12hat[2]+uslj_rsq*(kappa[2]-temp2*r12hat[2]); in k_gayberne_sphere_ellipsoid()
194 numtyp uslj_rsq; in k_gayberne() local218 uslj_rsq = temp1*sigma12*sigma12*sigma12*(numtyp)0.5; in k_gayberne()220 uslj_rsq = uslj_rsq*ir*ir; in k_gayberne()222 dUr[0] = temp1*r12[0]+uslj_rsq*(kappa[0]-temp2*r12[0]); in k_gayberne()223 dUr[1] = temp1*r12[1]+uslj_rsq*(kappa[1]-temp2*r12[1]); in k_gayberne()224 dUr[2] = temp1*r12[2]+uslj_rsq*(kappa[2]-temp2*r12[2]); in k_gayberne()230 tempv[0] = -uslj_rsq*kappa[0]; in k_gayberne()231 tempv[1] = -uslj_rsq*kappa[1]; in k_gayberne()232 tempv[2] = -uslj_rsq*kappa[2]; in k_gayberne()
130 numtyp uslj_rsq; in k_gayberne_sphere_ellipsoid() local154 uslj_rsq = temp1*sigma12*sigma12*sigma12*(numtyp)0.5; in k_gayberne_sphere_ellipsoid()156 uslj_rsq = uslj_rsq*ir*ir; in k_gayberne_sphere_ellipsoid()158 dUr[0] = temp1*r12hat[0]+uslj_rsq*(kappa[0]-temp2*r12hat[0]); in k_gayberne_sphere_ellipsoid()159 dUr[1] = temp1*r12hat[1]+uslj_rsq*(kappa[1]-temp2*r12hat[1]); in k_gayberne_sphere_ellipsoid()160 dUr[2] = temp1*r12hat[2]+uslj_rsq*(kappa[2]-temp2*r12hat[2]); in k_gayberne_sphere_ellipsoid()
633 double uslj_rsq = u_slj/rsq; in gayberne_analytic() local634 dUr[0] = temp1*r12hat[0]+uslj_rsq*(kappa[0]-temp2*r12hat[0]); in gayberne_analytic()635 dUr[1] = temp1*r12hat[1]+uslj_rsq*(kappa[1]-temp2*r12hat[1]); in gayberne_analytic()636 dUr[2] = temp1*r12hat[2]+uslj_rsq*(kappa[2]-temp2*r12hat[2]); in gayberne_analytic()656 tempv[0] = -uslj_rsq*kappa[0]; in gayberne_analytic()657 tempv[1] = -uslj_rsq*kappa[1]; in gayberne_analytic()658 tempv[2] = -uslj_rsq*kappa[2]; in gayberne_analytic()818 double uslj_rsq = u_slj/rsq; in gayberne_lj() local841 tempv[0] = -uslj_rsq*kappa[0]; in gayberne_lj()842 tempv[1] = -uslj_rsq*kappa[1]; in gayberne_lj()[all …]
554 flt_t uslj_rsq = u_slj / rsq_form[jj]; in eval() local555 dUr_0 = temp1 * r12hat_0 + uslj_rsq * (kappa_0 - temp2 * r12hat_0); in eval()556 dUr_1 = temp1 * r12hat_1 + uslj_rsq * (kappa_1 - temp2 * r12hat_1); in eval()557 dUr_2 = temp1 * r12hat_2 + uslj_rsq * (kappa_2 - temp2 * r12hat_2); in eval()578 tempv_0 = -uslj_rsq * kappa_0; in eval()579 tempv_1 = -uslj_rsq * kappa_1; in eval()580 tempv_2 = -uslj_rsq * kappa_2; in eval()