From 74f6c489bafea28df09c9c61226d73a69e37f129 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Sun, 12 Apr 2020 19:03:37 +0300 Subject: [PATCH] Fix invalid pointer in pairwise translation matrix. This caused errors for multi-particle periodic systems. Former-commit-id: 82e6630e196a1d2d05218519ac296ff1879fc0df --- qpms/scatsystem.c | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/qpms/scatsystem.c b/qpms/scatsystem.c index 23a0ba5..a89ebb7 100644 --- a/qpms/scatsystem.c +++ b/qpms/scatsystem.c @@ -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"); }