ICODE-ADC/lammps
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Merge branch 'master' into symbolic-atom-constants

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Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
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8
src/domain.cpp
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@ -89,7 +89,7 @@ Domain::Domain(LAMMPS *lmp) : Pointers(lmp)
boxlo_lamda[0] = boxlo_lamda[1] = boxlo_lamda[2] = 0.0;
boxhi_lamda[0] = boxhi_lamda[1] = boxhi_lamda[2] = 1.0;
lattice = NULL;
lattice = nullptr;
char **args = new char*[2];
args[0] = (char *) "none";
args[1] = (char *) "1.0";
@ -97,7 +97,7 @@ Domain::Domain(LAMMPS *lmp) : Pointers(lmp)
delete [] args;
nregion = maxregion = 0;
regions = NULL;
regions = nullptr;
copymode = 0;
@ -1640,7 +1640,7 @@ void Domain::image_flip(int m, int n, int p)
return 1 if this proc owns atom with coords x, else return 0
x is returned remapped into periodic box
if image flag is passed, flag is updated via remap(x,image)
if image = NULL is passed, no update with remap(x)
if image = nullptr is passed, no update with remap(x)
if shrinkexceed, atom can be outside shrinkwrap boundaries
called from create_atoms() in library.cpp
------------------------------------------------------------------------- */
@ -1727,7 +1727,7 @@ int Domain::ownatom(int /*id*/, double *x, imageint *image, int shrinkexceed)
void Domain::set_lattice(int narg, char **arg)
{
if (lattice) delete lattice;
lattice = NULL;
lattice = nullptr;
lattice = new Lattice(lmp,narg,arg);
}