From b7153eebee475d25bd9851ff9fea7ae153c856fc Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Feb 2024 19:04:14 -0500 Subject: [PATCH] simplify and check for triclinic again, since somebody may have used change_box --- src/EXTRA-FIX/fix_wall_flow.cpp | 9 +++------ 1 file changed, 3 insertions(+), 6 deletions(-) diff --git a/src/EXTRA-FIX/fix_wall_flow.cpp b/src/EXTRA-FIX/fix_wall_flow.cpp index f194a4076a..1f3dcfca5b 100644 --- a/src/EXTRA-FIX/fix_wall_flow.cpp +++ b/src/EXTRA-FIX/fix_wall_flow.cpp @@ -186,6 +186,9 @@ int FixWallFlow::setmask() void FixWallFlow::init() { + if (domain->triclinic != 0) + error->all(FLERR, "Fix wall/flow cannot be used with triclinic simulation box"); + int nrigid = 0; int box_change_flowax = 0; for (const auto &ifix : modify->get_fix_list()) { @@ -193,18 +196,12 @@ void FixWallFlow::init() switch (flowax) { case FlowAxis::AX_X: if (ifix->box_change & Fix::BOX_CHANGE_X) box_change_flowax++; - if (ifix->box_change & Fix::BOX_CHANGE_XY) box_change_flowax++; - if (ifix->box_change & Fix::BOX_CHANGE_XZ) box_change_flowax++; break; case FlowAxis::AX_Y: if (ifix->box_change & Fix::BOX_CHANGE_Y) box_change_flowax++; - if (ifix->box_change & Fix::BOX_CHANGE_YZ) box_change_flowax++; - if (ifix->box_change & Fix::BOX_CHANGE_XY) box_change_flowax++; break; case FlowAxis::AX_Z: if (ifix->box_change & Fix::BOX_CHANGE_Z) box_change_flowax++; - if (ifix->box_change & Fix::BOX_CHANGE_YZ) box_change_flowax++; - if (ifix->box_change & Fix::BOX_CHANGE_XZ) box_change_flowax++; break; } }