ICODE-ADC/lammps
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may only set bond diameter, if there are actual bonds in the system allowed

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This commit is contained in:
Axel Kohlmeyer
2023-08-17 22:33:12 -04:00
parent a0414f2fc9
commit 422b989c1c
1 changed files with 3 additions and 1 deletions
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4
tools/lammps-gui/imageviewer.cpp
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@ -368,6 +368,7 @@ void ImageViewer::createImage()
// determine elements from masses and set their covalent radii // determine elements from masses and set their covalent radii
int ntypes = lammps->extract_setting("ntypes"); int ntypes = lammps->extract_setting("ntypes");
int nbondtypes = lammps->extract_setting("nbondtypes");
double *masses = (double *)lammps->extract_atom("mass"); double *masses = (double *)lammps->extract_atom("mass");
QString units = (const char *)lammps->extract_global("units"); QString units = (const char *)lammps->extract_global("units");
QString elements = "element "; QString elements = "element ";
@ -387,7 +388,8 @@ void ImageViewer::createImage()
dumpcmd += blank + settings.value("diameter", "type").toString(); dumpcmd += blank + settings.value("diameter", "type").toString();
dumpcmd += QString(" size ") + QString::number(tmpxsize) + blank + QString::number(tmpysize); dumpcmd += QString(" size ") + QString::number(tmpxsize) + blank + QString::number(tmpysize);
dumpcmd += QString(" zoom ") + QString::number(zoom); dumpcmd += QString(" zoom ") + QString::number(zoom);
dumpcmd += " shiny 0.5 bond atom 0.4 "; dumpcmd += " shiny 0.5 ";
if (nbondtypes > 0) dumpcmd += " bond atom 0.4 ";
if (lammps->extract_setting("dimension") == 3) { if (lammps->extract_setting("dimension") == 3) {
dumpcmd += QString(" view ") + QString::number(hhrot) + blank + QString::number(vrot); dumpcmd += QString(" view ") + QString::number(hhrot) + blank + QString::number(vrot);