This is an abstract base type for classes that compute two centers integrals involving two electrons.
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int | nbasis () const |
| Return the number of basis functions on center one.
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int | nbasis1 () const |
| Return the number of basis functions on center one.
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int | nbasis2 () const |
| Return the number of basis functions on center two.
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int | nshell () const |
| Return the number of shells on center one.
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int | nshell1 () const |
| Return the number of shells on center one.
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int | nshell2 () const |
| Return the number of shells on center two.
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Ref< GaussianBasisSet > | basis () |
| Return the basis set on center one.
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Ref< GaussianBasisSet > | basis1 () |
| Return the basis set on center one.
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Ref< GaussianBasisSet > | basis2 () |
| Return the basis set on center two.
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const double * | buffer () const |
| The computed shell integrals will be put in the buffer returned by this member.
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virtual void | compute_shell (int, int, DerivCenters &)=0 |
| Given for shell indices, this will cause the integral buffer to be filled in. More...
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virtual int | log2_shell_bound (int=-1, int=-1)=0 |
| Return log base 2 of the maximum magnitude of any integral in a shell block. More...
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int | lock_ptr () const |
| Lock this object.
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int | unlock_ptr () const |
| Unlock this object.
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void | use_locks (bool inVal) |
| start and stop using locks on this object
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refcount_t | nreference () const |
| Return the reference count.
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refcount_t | reference () |
| Increment the reference count and return the new count.
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refcount_t | dereference () |
| Decrement the reference count and return the new count.
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int | managed () const |
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void | unmanage () |
| Turn off the reference counting mechanism for this object. More...
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int | managed () const |
| Return 1 if the object is managed. Otherwise return 0.
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Identifier | identifier () |
| Return the Identifier for this argument. More...
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This is an abstract base type for classes that compute two centers integrals involving two electrons.