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Fix ScatteringSystem.fullvec_poffsets 

Former-commit-id: 5a186bb4c22474124ab34d3fd6d5920587b0514d
This commit is contained in:
Marek Nečada 2020-03-18 09:34:51 +02:00
parent 4b2e48f459
commit 433be52bbc
2 changed files with 2 additions and 1 deletions
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2
qpms/qpms_c.pyx
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@ -611,7 +611,7 @@ cdef class ScatteringSystem:
cdef intptr_t offset = 0 cdef intptr_t offset = 0
for pi in range(self.s[0].p_count): for pi in range(self.s[0].p_count):
ar_view[pi] = offset 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 return ar
property positions: property positions:

1
qpms/qpms_cdefs.pxd
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@ -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, 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, cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints,
double rank_tol, size_t rank_sel_min, double res_tol) 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": cdef extern from "ewald.h":
struct qpms_csf_result: struct qpms_csf_result: