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| PointChargeIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< PointChargeData > &) |
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void | compute_shell (int, int) |
| Computes the integrals between basis functions in the given shell pair.
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Public Member Functions inherited from sc::OneBodyInt |
int | nbasis () const |
| Returns the number of basis functions on center one.
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int | nbasis1 () const |
| Returns the number of basis functions on the center one.
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int | nbasis2 () const |
| Returns the number of basis functions on the 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 the center one.
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int | nshell2 () const |
| Return the number of shells on the 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 the center one.
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Ref< GaussianBasisSet > | basis2 () |
| Return the basis set on the center two.
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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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virtual bool | cloneable () |
| Return true if the clone member can be called.
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virtual Ref< OneBodyInt > | clone () |
| Returns a clone of this.
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Integral * | integral () const |
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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.
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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.
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