forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10984 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
767784895d
commit
aa9502ec5a
|
@ -58,7 +58,8 @@ Angle::~Angle()
|
||||||
|
|
||||||
void Angle::init()
|
void Angle::init()
|
||||||
{
|
{
|
||||||
if (!allocated) error->all(FLERR,"Angle coeffs are not set");
|
if (!allocated && atom->nangletypes)
|
||||||
|
error->all(FLERR,"Angle coeffs are not set");
|
||||||
for (int i = 1; i <= atom->nangletypes; i++)
|
for (int i = 1; i <= atom->nangletypes; i++)
|
||||||
if (setflag[i] == 0) error->all(FLERR,"All angle coeffs are not set");
|
if (setflag[i] == 0) error->all(FLERR,"All angle coeffs are not set");
|
||||||
|
|
||||||
|
|
|
@ -59,7 +59,8 @@ Bond::~Bond()
|
||||||
|
|
||||||
void Bond::init()
|
void Bond::init()
|
||||||
{
|
{
|
||||||
if (!allocated) error->all(FLERR,"Bond coeffs are not set");
|
if (!allocated && atom->nbondtypes)
|
||||||
|
error->all(FLERR,"Bond coeffs are not set");
|
||||||
for (int i = 1; i <= atom->nbondtypes; i++)
|
for (int i = 1; i <= atom->nbondtypes; i++)
|
||||||
if (setflag[i] == 0) error->all(FLERR,"All bond coeffs are not set");
|
if (setflag[i] == 0) error->all(FLERR,"All bond coeffs are not set");
|
||||||
init_style();
|
init_style();
|
||||||
|
|
|
@ -59,7 +59,8 @@ Dihedral::~Dihedral()
|
||||||
|
|
||||||
void Dihedral::init()
|
void Dihedral::init()
|
||||||
{
|
{
|
||||||
if (!allocated) error->all(FLERR,"Dihedral coeffs are not set");
|
if (!allocated && atom->ndihedraltypes)
|
||||||
|
error->all(FLERR,"Dihedral coeffs are not set");
|
||||||
for (int i = 1; i <= atom->ndihedraltypes; i++)
|
for (int i = 1; i <= atom->ndihedraltypes; i++)
|
||||||
if (setflag[i] == 0) error->all(FLERR,"All dihedral coeffs are not set");
|
if (setflag[i] == 0) error->all(FLERR,"All dihedral coeffs are not set");
|
||||||
init_style();
|
init_style();
|
||||||
|
|
|
@ -56,7 +56,8 @@ Improper::~Improper()
|
||||||
|
|
||||||
void Improper::init()
|
void Improper::init()
|
||||||
{
|
{
|
||||||
if (!allocated) error->all(FLERR,"Improper coeffs are not set");
|
if (!allocated && atom->nimpropertypes)
|
||||||
|
error->all(FLERR,"Improper coeffs are not set");
|
||||||
for (int i = 1; i <= atom->nimpropertypes; i++)
|
for (int i = 1; i <= atom->nimpropertypes; i++)
|
||||||
if (setflag[i] == 0) error->all(FLERR,"All improper coeffs are not set");
|
if (setflag[i] == 0) error->all(FLERR,"All improper coeffs are not set");
|
||||||
}
|
}
|
||||||
|
|
Loading…
Reference in New Issue