MPQC
3.0.0-alpha
|
The CorrelationTable class provides a correlation table between two point groups. More...
#include <math/symmetry/corrtab.h>
Public Member Functions | |
CorrelationTable (const Ref< PointGroup > &group, const Ref< PointGroup > &subgroup) | |
Create a correlation table for the two groups. | |
Ref< PointGroup > | group () const |
Returns the higher order point group. | |
Ref< PointGroup > | subgroup () const |
Returns the lower order point group. | |
int | initialize_table (const Ref< PointGroup > &group, const Ref< PointGroup > &subgroup) |
Initalize the correlation table. More... | |
const char * | error (int errcod) |
Converts error codes from initialize_table into a text string. | |
int | n () const |
Returns the number of irreps in the high order group. | |
int | subn () const |
Returns the number of irreps in the subgroup. | |
int | degen (int igamma) const |
Returns the degeneracy of the irrep. | |
int | subdegen (int igamma) const |
Returns the degeneracy of the subgroup irrep. | |
int | ngamma (int igamma) const |
Returns the number of irreps in the low order group that an irrep. | |
int | gamma (int igamma, int i) const |
Returns the irreps in the low order group that an irrep from the high order group can be reduced to. | |
void | print (std::ostream &o=ExEnv::out0()) const |
Public Member Functions inherited from sc::RefCount | |
size_t | identifier () const |
Return the unique identifier for this object that can be compared for different objects of different types. More... | |
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... | |
Additional Inherited Members | |
Protected Member Functions inherited from sc::RefCount | |
RefCount (const RefCount &) | |
RefCount & | operator= (const RefCount &) |
The CorrelationTable class provides a correlation table between two point groups.
int sc::CorrelationTable::initialize_table | ( | const Ref< PointGroup > & | group, |
const Ref< PointGroup > & | subgroup | ||
) |
Initalize the correlation table.
Returns 0 for success and nonzero for failure. This will fail if the subgroup is not really a subgroup of group.