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loads of whitespace fixes

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This commit is contained in:
Axel Kohlmeyer
2023-12-01 14:52:47 -05:00
parent fb243eba9b
commit 45372937db
34 changed files with 163 additions and 163 deletions
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18
src/create_atoms.cpp
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@ -358,11 +358,11 @@ void CreateAtoms::command(int narg, char **arg)
}
// require non-none lattice be defined for BOX or REGION styles
if ((style == BOX) || (style == REGION)) {
if (nbasis == 0) error->all(FLERR, "Cannot create atoms with undefined lattice");
}
// apply scaling factor for styles that use distance-dependent factors
if (scaleflag) {
@ -465,7 +465,7 @@ void CreateAtoms::command(int narg, char **arg)
atom->avec->clear_bonus();
// add atoms/molecules with appropriate add() method
bigint natoms_previous = atom->natoms;
int nlocal_previous = atom->nlocal;
@ -1178,7 +1178,7 @@ void CreateAtoms::add_lattice()
{
// add atoms on general triclinic lattice if Domain has setting for it
// verify lattice was defined with triclinic/general option
if (!domain->triclinic_general && domain->lattice->is_general_triclinic())
error->all(FLERR,"Create_atoms for non general triclinic box cannot use triclinic/general lattice");
if (domain->triclinic_general && !domain->lattice->is_general_triclinic())
@ -1228,7 +1228,7 @@ void CreateAtoms::add_lattice()
// convert 8 corner points of bounding box to lattice coordinates
// compute new bounding box (xyz min/max) in lattice coords
// for orthogonal or restricted triclinic, use 8 corner points of bbox lo/hi
if (!domain->triclinic_general) {
domain->lattice->bbox(1, bboxlo[0], bboxlo[1], bboxlo[2], xmin, ymin, zmin, xmax, ymax, zmax);
domain->lattice->bbox(1, bboxhi[0], bboxlo[1], bboxlo[2], xmin, ymin, zmin, xmax, ymax, zmax);
@ -1274,7 +1274,7 @@ void CreateAtoms::add_lattice()
domain->restricted_to_general_coords(point);
domain->lattice->bbox(1, point[0], point[1], point[2], xmin, ymin, zmin, xmax, ymax, zmax);
}
// ilo:ihi,jlo:jhi,klo:khi = loop bounds for lattice overlap of my subbox
// overlap = any part of a unit cell (face,edge,pt) in common with my subbox
// in lattice space, subbox is a tilted box
@ -1284,7 +1284,7 @@ void CreateAtoms::add_lattice()
// which can lead to missing atoms in rare cases
// extra decrement of lo if min < 0, since static_cast(-1.5) = -1
// for 2d simulation, klo = khi = 0 so just one plane of atoms
ilo = static_cast<int>(xmin) - 1;
jlo = static_cast<int>(ymin) - 1;
klo = static_cast<int>(zmin) - 1;
@ -1297,7 +1297,7 @@ void CreateAtoms::add_lattice()
if (zmin < 0.0) klo--;
if (domain->dimension == 2) klo = khi = 0;
// count lattice sites on each proc
nlatt_overflow = 0;
@ -1395,7 +1395,7 @@ void CreateAtoms::loop_lattice(int action)
error->all(FLERR,"Create_atoms atom z coord is non-zero for 2d simulation");
x[2] = 0.0;
}
}
}
// if a region was specified, test if atom is in it