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Fix invalid pointer in pairwise translation matrix. 

This caused errors for multi-particle periodic systems.


Former-commit-id: 82e6630e196a1d2d05218519ac296ff1879fc0df
This commit is contained in:
Marek Nečada 2020-04-12 19:03:37 +03:00
parent 3da6e5cfb2
commit 74f6c489ba
1 changed files with 1 additions and 2 deletions
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3
qpms/scatsystem.c
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@ -1226,8 +1226,7 @@ static inline int qpms_ss_ppair_W(const qpms_scatsys_t *ss,
!ss->per.lattice_basis[0].z && !ss->per.lattice_basis[1].z &&
!wavevector[2])
return qpms_ss_ppair_W32xy(ss, pdest, psrc, wavenumber, cart2_from_double_array(wavevector),
target + deststride * ss->fecv_pstarts[pdest] + srcstride * ss->fecv_pstarts[psrc],
deststride, srcstride, parts);
target, deststride, srcstride, parts);
else
QPMS_NOT_IMPLEMENTED("Only 2D xy-lattices currently supported");
}