Commit 756f60d2 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Fix cumulative cross-section bug

parent 36e2539a

src/include/clu_subs.h

+4 −2
Original line number Diff line number Diff line
@@ -923,6 +923,7 @@ void apcra( 
		gappm[2][0] = sum2 * uim;

		gappm[2][1] = -gappm[2][0];

	} else { // label 72

		cofs *= 2.0;

		gaprm[2][0] = sum1.real() * cofs;

		gaprm[2][1] = sum2.real() * cofs;

		gappm[2][0] = cc0;
@@ -2062,17 +2063,18 @@ void str(double **rcf, C1 *c1, C1_AddOns *c1ao, C3 *c3, C4 *c4, C6 *c6) { 
	std::complex<double> *ylm;

	const double pi = acos(-1.0);

	c3->gcs = 0.0;

	double gcss = 0.0;

	for (int i18 = 1; i18 <= c4->nsph; i18++) {

		int iogi = c1->iog[i18 - 1];

		if (iogi >= i18) {

			double gcss = pi * c1->ros[i18 - 1] * c1->ros[i18 - 1];

			gcss = pi * c1->ros[i18 - 1] * c1->ros[i18 - 1];

			c1->gcsv[i18 - 1] = gcss;

			int nsh = c1->nshl[i18 - 1];

			for (int j16 = 1; j16 <= nsh; j16++) {

				c1->rc[i18 - 1][j16 - 1] = rcf[i18 - 1][j16 - 1] * c1->ros[i18 - 1];

			} // j16 loop

			c3->gcs += gcss;

		}

		c3->gcs += gcss;

	} // i18 loop

	int ylm_size = (c4->litpos > c4->lmtpos) ? c4->litpos : c4->lmtpos;

	ylm = new std::complex<double>[ylm_size]();