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MPQC
2.3.1
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The CorrelationTable class provides a correlation table between two point groups. More...
#include <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. | |
| 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 |
The CorrelationTable class provides a correlation table between two point groups.
| int sc::CorrelationTable::gamma | ( | int | igamma, |
| int | i | ||
| ) | const [inline] |
Returns the irreps in the low order group that an irrep from the high order group can be reduced to.
| 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.