ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

merge with current develop

Browse Source
This commit is contained in:
Steve Plimpton
2023-10-20 13:31:32 -06:00
parent 201f8cda9a f641d88f86
commit 1c4ab13f01
370 changed files with 13017 additions and 4088 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/create_atoms.cpp
View File

@ -360,7 +360,7 @@ void CreateAtoms::command(int narg, char **arg)
// lattice to box, but not consistent with other uses of units=lattice
// triclinic remapping occurs in add_single()
if ((style == BOX) || (style == REGION) || (style == MESH)) {
if ((style == BOX) || (style == REGION)) {
if (nbasis == 0) error->all(FLERR, "Cannot create atoms with undefined lattice");
} else if (scaleflag == 1) {
xone[0] *= domain->lattice->xlattice;
@ -1057,6 +1057,9 @@ void CreateAtoms::add_mesh(const char *filename)
throw TokenizerException("Invalid STL mesh file format", "");
line += 6;
if (utils::strmatch(line, "^binary"))
throw TokenizerException("Invalid STL mesh file format", "");
if (comm->me == 0)
utils::logmesg(lmp, "Reading STL object {} from text file {}\n", utils::trim(line), filename);
@ -1155,6 +1158,7 @@ void CreateAtoms::add_mesh(const char *filename)
utils::logmesg(lmp, " read {} triangles with {:.2f} atoms per triangle added in {} mode\n",
ntriangle, ratio, mesh_name[mesh_style]);
}
if (fp) fclose(fp);
}
/* ----------------------------------------------------------------------