Public Methods |
virtual | ~OneBodyInt () |
int | nbasis () const |
| Returns the number of basis functions on center one.
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int | nshell () const |
| Return the number of shells on center one.
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Ref< GaussianBasisSet > | basis () |
| Return the basis set on center one.
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const double * | buffer () const |
| Returns the buffer where the integrals are placed.
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virtual void | compute_shell (int, int)=0 |
| Computes the integrals between basis functions in the given shell pair.
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virtual void | reinitialize () |
| This is called for one body integrals that take data to let them know that the data they reference has changed.
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Integral * | integral () const |
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int | nbasis1 () const |
int | nbasis2 () const |
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int | nshell1 () const |
int | nshell2 () const |
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Ref< GaussianBasisSet > | basis1 () |
Ref< GaussianBasisSet > | basis2 () |
Protected Methods |
| OneBodyInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0) |
Protected Attributes |
Integral * | integral_ |
Ref< GaussianBasisSet > | bs1_ |
Ref< GaussianBasisSet > | bs2_ |
double * | buffer_ |