Inheritance diagram for sc::ShellExtent:
Collaboration diagram for sc::ShellExtent:
Public Member Functions | |
| void | init (const Ref< GaussianBasisSet > &, double resolution=1.0, double tolerance=DBL_EPSILON) |
| const std::vector< ExtentData > & | contributing_shells (int x, int y, int z) |
| Returns the shells that are nonzero at coordinates x, y, z. More... | |
| const std::vector< ExtentData > & | contributing_shells (double x, double y, double z) |
| void | print (std::ostream &o=ExEnv::out0()) |
| const int * | n () const |
| int | n (int ixyz) const |
| double | lower (int ixyz) const |
| double | upper (int ixyz) const |
| double | resolution () const |
 Public Member Functions inherited from sc::RefCount | |
| int | lock_ptr () const |
| Lock this object. | |
| int | unlock_ptr () const |
| Unlock this object. | |
| void | use_locks (bool inVal) |
| start and stop using locks on this object | |
| refcount_t | nreference () const |
| Return the reference count. | |
| refcount_t | reference () |
| Increment the reference count and return the new count. | |
| refcount_t | dereference () |
| Decrement the reference count and return the new count. | |
| int | managed () const |
| void | unmanage () |
| Turn off the reference counting mechanism for this object. More... | |
| int | managed () const |
| Return 1 if the object is managed. Otherwise return 0. | |
| Public Member Functions inherited from sc::Identity | |
| Identifier | identifier () |
| Return the Identifier for this argument. More... | |
Additional Inherited Members | |
| Protected Member Functions inherited from sc::RefCount | |
| RefCount (const RefCount &) | |
| RefCount & | operator= (const RefCount &) |
Member Function Documentation
◆ contributing_shells()
|
inline |
Returns the shells that are nonzero at coordinates x, y, z.
The shells numbers are in ascending order.
The documentation for this class was generated from the following file: