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simplify and check for triclinic again, since somebody may have used change_box

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This commit is contained in:
Axel Kohlmeyer
2024-02-23 19:04:14 -05:00
parent 71e0d506e7
commit b7153eebee
1 changed files with 3 additions and 6 deletions
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9
src/EXTRA-FIX/fix_wall_flow.cpp
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@ -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;
}
}