From 433be52bbce5f53fbc0805c2a9b649e071dc4be0 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Wed, 18 Mar 2020 09:34:51 +0200 Subject: [PATCH] Fix ScatteringSystem.fullvec_poffsets Former-commit-id: 5a186bb4c22474124ab34d3fd6d5920587b0514d --- qpms/qpms_c.pyx | 2 +- qpms/qpms_cdefs.pxd | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/qpms/qpms_c.pyx b/qpms/qpms_c.pyx index d05b5ed..3adb2c9 100644 --- a/qpms/qpms_c.pyx +++ b/qpms/qpms_c.pyx @@ -611,7 +611,7 @@ cdef class ScatteringSystem: cdef intptr_t offset = 0 for pi in range(self.s[0].p_count): ar_view[pi] = offset - offset += self.s[0].tm[self.s[0].p[pi].tmatrix_id].spec[0].n + offset += qpms_ss_bspec_pi(self.s, pi)[0].n return ar property positions: diff --git a/qpms/qpms_cdefs.pxd b/qpms/qpms_cdefs.pxd index bb4cf9b..d5c515d 100644 --- a/qpms/qpms_cdefs.pxd +++ b/qpms/qpms_cdefs.pxd @@ -624,6 +624,7 @@ cdef extern from "scatsystem.h": beyn_result_t *qpms_scatsys_periodic_find_eigenmodes(const qpms_scatsys_t *ss, const double *k, cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints, double rank_tol, size_t rank_sel_min, double res_tol) + const qpms_vswf_set_spec_t *qpms_ss_bspec_pi(const qpms_scatsys_t *ss, qpms_ss_pi_t pi) cdef extern from "ewald.h": struct qpms_csf_result: