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Change to fix_property_atom to allow virtual override of grow_arrays() function

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This commit is contained in:
Stan Moore
2016-12-15 15:48:09 -07:00
parent c0d6cbbdd3
commit d5f8f36442
2 changed files with 5 additions and 4 deletions
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3
src/fix_property_atom.cpp
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@ -134,7 +134,6 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) :
// register with Atom class
nmax_old = 0;
grow_arrays(atom->nmax);
atom->add_callback(0);
atom->add_callback(1);
if (border) atom->add_callback(2);
@ -190,6 +189,8 @@ int FixPropertyAtom::setmask()
void FixPropertyAtom::init()
{
grow_arrays(atom->nmax);
// error if atom style has changed since fix was defined
// don't allow this b/c user could change to style that defines molecule,q

6
src/fix_property_atom.h
View File

@ -27,7 +27,7 @@ namespace LAMMPS_NS {
class FixPropertyAtom : public Fix {
public:
FixPropertyAtom(class LAMMPS *, int, char **);
~FixPropertyAtom();
virtual ~FixPropertyAtom();
int setmask();
void init();
@ -38,7 +38,7 @@ class FixPropertyAtom : public Fix {
void write_data_section_keyword(int, FILE *);
void write_data_section(int, FILE *, int, double **, int);
void grow_arrays(int);
virtual void grow_arrays(int);
void copy_arrays(int, int, int);
int pack_border(int, int *, double *);
int unpack_border(int, int, double *);
@ -50,7 +50,7 @@ class FixPropertyAtom : public Fix {
int maxsize_restart();
double memory_usage();
private:
protected:
int nvalue,border;
int molecule_flag,q_flag,rmass_flag;
int *style,*index;