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

Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin

Browse Source 
Conflicts:
	src/SPIN/pair_spin_exchange.cpp
	src/atom.cpp
	src/pair.cpp
This commit is contained in:
julient31
2019-04-19 15:02:25 -06:00
parent 7a2d326103 898860328b
commit a696b26301
4475 changed files with 423708 additions and 327416 deletions
Download Patch File Download Diff File Expand all files Collapse all files

12
src/atom.h
View File

@ -34,6 +34,10 @@ class Atom : protected Pointers {
int tag_enable; // 0/1 if atom ID tags are defined
int molecular; // 0 = atomic, 1 = standard molecular system,
// 2 = molecule template system
bigint nellipsoids; // number of ellipsoids
bigint nlines; // number of lines
bigint ntris; // number of triangles
bigint nbodies; // number of bodies
bigint nbonds,nangles,ndihedrals,nimpropers;
int ntypes,nbondtypes,nangletypes,ndihedraltypes,nimpropertypes;
@ -234,6 +238,8 @@ class Atom : protected Pointers {
void tag_extend();
int tag_consecutive();
void bonus_check();
int parse_data(const char *);
int count_words(const char *);
int count_words(const char *, char *);
@ -497,12 +503,6 @@ E: Atom sort did not operate correctly
This is an internal LAMMPS error. Please report it to the
developers.
E: Atom sorting has bin size = 0.0
The neighbor cutoff is being used as the bin size, but it is zero.
Thus you must explicitly list a bin size in the atom_modify sort
command or turn off sorting.
E: Too many atom sorting bins
This is likely due to an immense simulation box that has blown up