OOpsiistar = norm2(tmpvec)+rotg->eps; /* OOpsii* = 1/psii* = |v x (xi-xcn)|^2 + eps */
OOpsii = norm(tmpvec); /* OOpsii = 1 / psii = |v x (xi - xcn)| */
- /* v x (xi - xcn) */
+ /* * v x (xi - xcn) */
unitv(tmpvec, s_in); /* sin = ---------------- */
/* |v x (xi - xcn)| */
mvmul(erg->rotmat, tmpvec, rin); /* rin = Omega.(yi0 - ycn) */
cprod(rotg->vec, rin, tmpvec); /* tmpvec = v x Omega*(yi0-ycn) */
- /* v x Omega*(yi0-ycn) */
+ /* * v x Omega*(yi0-ycn) */
unitv(tmpvec, qin); /* qin = --------------------- */
/* |v x Omega*(yi0-ycn)| */
OOpsij = norm(tmpvec); /* OOpsij = 1 / psij = |v x (xj - xcn)| */
- /* v x (xj - xcn) */
+ /* * v x (xj - xcn) */
unitv(tmpvec, sjn); /* sjn = ---------------- */
/* |v x (xj - xcn)| */
rvec s_n;
rvec force_n; /* Single force from slab n on one atom */
rvec force_n1, force_n2; /* First and second part of force_n */
- rvec tmpvec, tmpvec2, tmp_f; /* Helper variables */
+ rvec tmpvec, tmpvec2, tmp_f; /* Helper variables */
real V; /* The rotation potential energy */
real OOsigma2; /* 1/(sigma^2) */
real beta; /* beta_n(xj) */
/* Calculate qjn */
cprod(rotg->vec, tmpvec2, tmpvec); /* tmpvec= v x Omega.(yj0-ycn) */
- /* v x Omega.(yj0-ycn) */
+ /* * v x Omega.(yj0-ycn) */
unitv(tmpvec, qjn); /* qjn = --------------------- */
/* |v x Omega.(yj0-ycn)| */
mvmul(erg->PotAngleFit->rotmat[ifit], yj0_ycn, tmpvec2); /* tmpvec2= Omega.(yj0-ycn) */
/* As above calculate qjn */
cprod(rotg->vec, tmpvec2, tmpvec); /* tmpvec= v x Omega.(yj0-ycn) */
- /* v x Omega.(yj0-ycn) */
+ /* * v x Omega.(yj0-ycn) */
unitv(tmpvec, fit_qjn); /* fit_qjn = --------------------- */
/* |v x Omega.(yj0-ycn)| */
fit_bjn = iprod(fit_qjn, xj_xcn); /* fit_bjn = fit_qjn * (xj - xcn) */
/* We already have precalculated the Sn term for slab n */
copy_rvec(erg->slab_innersumvec[islab], s_n);
- /* beta_n(xj) */
+ /* * beta_n(xj) */
svmul(betan_xj_sigma2*iprod(s_n, xj_xcn), rotg->vec, tmpvec); /* tmpvec = ---------- s_n (xj-xcn) */
/* sigma^2 */
/* Calculate Omega.(yj0-u) */
cprod(rotg->vec, erg->xr_loc[j], tmpvec); /* tmpvec = v x Omega.(yj0-u) */
- /* v x Omega.(yj0-u) */
+ /* * v x Omega.(yj0-u) */
unitv(tmpvec, pj); /* pj = --------------------- */
/* | v x Omega.(yj0-u) | */
/* Calculate Omega.(yj0-u) */
cprod(rotg->vec, fit_tmpvec, tmpvec); /* tmpvec = v x Omega.(yj0-u) */
- /* v x Omega.(yj0-u) */
+ /* * v x Omega.(yj0-u) */
unitv(tmpvec, pj); /* pj = --------------------- */
/* | v x Omega.(yj0-u) | */
cprod(rotg->vec, tmpvec, tmpvec2); /* tmpvec2 = v x Omega.(yi0-yc0) */
- /* v x Omega.(yi0-yc0) */
+ /* * v x Omega.(yi0-yc0) */
unitv(tmpvec2, qi); /* qi = ----------------------- */
/* | v x Omega.(yi0-yc0) | */
cprod(rotg->vec, tmpvec2, tmpvec); /* tmpvec = v x Omega.(yj0-yc0) */
- /* v x Omega.(yj0-yc0) */
+ /* * v x Omega.(yj0-yc0) */
unitv(tmpvec, qj); /* qj = ----------------------- */
/* | v x Omega.(yj0-yc0) | */
/* Calculate Omega.(yj0-u) */
cprod(rotg->vec, tmpvec2, tmpvec); /* tmpvec = v x Omega.(yj0-yc0) */
- /* v x Omega.(yj0-yc0) */
+ /* * v x Omega.(yj0-yc0) */
unitv(tmpvec, qj); /* qj = ----------------------- */
/* | v x Omega.(yj0-yc0) | */
cprod(rotg->vec, xi_xc, v_xi_xc); /* v_xi_xc = v x (xi-u) */
fac = norm2(v_xi_xc);
- /* 1 */
+ /* * 1 */
psiistar = 1.0/(fac + rotg->eps); /* psiistar = --------------------- */
/* |v x (xi-xc)|^2 + eps */
cprod(rotg->vec, xj_u, v_xj_u); /* v_xj_u = v x (xj-u) */
fac = norm2(v_xj_u);
- /* 1 */
+ /* * 1 */
psijstar = 1.0/(fac + rotg->eps); /* psistar = -------------------- */
/* |v x (xj-u)|^2 + eps */