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improve stability of lorentzian susceptibility #666

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Jan 11, 2019
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improve stability of lorentzian susceptibility #666

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4d27eda
improve stability of lorentzian susceptibility
oskooi Jan 11, 2019
5825cec
formatting, comments
stevengj Jan 11, 2019
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26 changes: 16 additions & 10 deletions src/susceptibility.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -215,19 +215,25 @@ void lorentzian_susceptibility::update_P(realnum *W[NUM_FIELD_COMPONENTS][2],
}
if (s1 && s2) { // 3x3 anisotropic
LOOP_OVER_VOL_OWNED(gv, c, i) {
realnum pcur = p[i];
p[i] =
gamma1inv *
(pcur * (2 - omega0dtsqr_denom) - gamma1 * pp[i] +
omega0dtsqr * (s[i] * w[i] + OFFDIAG(s1, w1, is1, is) + OFFDIAG(s2, w2, is2, is)));
pp[i] = pcur;
// s[i] != 0 check is a bit of a hack to work around
// some instabilities that occur near the boundaries
// of materials; see PR #666
if (s[i] != 0) {
realnum pcur = p[i];
p[i] = gamma1inv * (pcur * (2 - omega0dtsqr_denom) - gamma1 * pp[i] +
omega0dtsqr * (s[i] * w[i] + OFFDIAG(s1, w1, is1, is) +
OFFDIAG(s2, w2, is2, is)));
pp[i] = pcur;
}
}
} else if (s1) { // 2x2 anisotropic
LOOP_OVER_VOL_OWNED(gv, c, i) {
realnum pcur = p[i];
p[i] = gamma1inv * (pcur * (2 - omega0dtsqr_denom) - gamma1 * pp[i] +
omega0dtsqr * (s[i] * w[i] + OFFDIAG(s1, w1, is1, is)));
pp[i] = pcur;
if (s[i] != 0) { // see above
realnum pcur = p[i];
p[i] = gamma1inv * (pcur * (2 - omega0dtsqr_denom) - gamma1 * pp[i] +
omega0dtsqr * (s[i] * w[i] + OFFDIAG(s1, w1, is1, is)));
pp[i] = pcur;
}
}
} else { // isotropic
LOOP_OVER_VOL_OWNED(gv, c, i) {
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