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| CGF () |
| How to return key. More...
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| CGF (unsigned int qn[3], bool pure_sh=false) |
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| CGF (const CGF &) |
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| CGF (const ConstructablePolymorphically &) |
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CGF & | operator= (const CGF &) |
| assignment
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const OriginDerivative< 3u > & | deriv () const |
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OriginDerivative< 3u > & | deriv () |
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const std::string | label () const |
| Return a compact label.
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unsigned int | num_bf () const |
| Returns the number of basis functions in the set (always 1)
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unsigned int | qn (unsigned int axis) const |
| Returns the quantum number along axis .
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unsigned int | operator[] (unsigned int axis) const |
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bool | pure_sh () const |
| contains only solid harmonics with the same quantum number as this shell? (this may permit simplified RR to be used – obviously must transform to solid harmonics later)
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void | pure_sh (bool p) |
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bool | operator== (const CGF &) const |
| Comparison operator.
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void | inc (unsigned int xyz, unsigned int c=1u) |
| Implementation of IncableBFSet::inc().
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void | dec (unsigned int xyz, unsigned int c=1u) |
| Implementation of IncableBFSet::dec().
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unsigned int | norm () const |
| Implements IncableBFSet::norm()
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LIBINT2_UINT_LEAST64 | key () const |
| Implements Hashable<LIBINT2_UINT_LEAST64>::key()
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void | print (std::ostream &os=std::cout) const |
| Print out the content.
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bool | is_unit () const |
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bool | zero () const |
| norm() == 0
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bool | valid () const |
| Return false if this object is invalid.
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| Contractable (const Contractable &source) |
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Contractable & | operator= (const Contractable &source) |
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bool | contracted () const |
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void | uncontract () |
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void | contract () |
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3D Cartesian Gaussian Function