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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1515 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-02-15 19:06:53 +00:00
parent 9fa38a6e94
commit 9864ead231
27 changed files with 243 additions and 110 deletions
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6
src/atom.h
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@ -35,6 +35,10 @@ class Atom : protected Pointers {
int nbonds,nangles,ndihedrals,nimpropers;
int bond_per_atom,angle_per_atom,dihedral_per_atom,improper_per_atom;
int firstgroup; // store atoms in this group first, -1 if unset
int nfirst; // # of atoms in first group on this proc
char *firstgroupname; // group-ID to store first, NULL if unset
// per-atom arrays
// customize by adding new array
@ -132,6 +136,8 @@ class Atom : protected Pointers {
void set_dipole(double *);
void check_dipole();
void first_reorder();
void add_callback(int);
void delete_callback(const char *, int);
void update_callback(int);