Psi4
efpmultipolepotential.h
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28 
29 #ifndef _psi_src_lib_libmints_efpmultipolepotential_h_
30 #define _psi_src_lib_libmints_efpmultipolepotential_h_
31 
32 #include "psi4/libmints/onebody.h"
33 #include "psi4/libmints/osrecur.h"
34 
35 namespace psi {
36 
37 class BasisSet;
38 class GaussianShell;
39 class OneBodyAOInt;
40 class SphericalTransform;
41 
42 
84 {
85  // OS Recursion for this type of potential integral
87 
89  void compute_pair(const GaussianShell&, const GaussianShell&);
90 
91 public:
93  EFPMultipolePotentialInt(std::vector<SphericalTransform>&, std::shared_ptr<BasisSet>, std::shared_ptr<BasisSet>, int deriv=0);
95  virtual ~EFPMultipolePotentialInt();
96 
97 };
98 
99 }
100 
101 #endif
Definition: onebody.h:55
Obara and Saika recursion object for potential integrals, and electric derivatives thereof...
Definition: osrecur.h:275
Definition: efpmultipolepotential.h:83
ObaraSaikaTwoCenterEFPRecursion mvi_recur_
Definition: efpmultipolepotential.h:86
EFPMultipolePotentialInt(std::vector< SphericalTransform > &, std::shared_ptr< BasisSet >, std::shared_ptr< BasisSet >, int deriv=0)
Constructor. Do not call directly use an IntegralFactory.
Definition: efpmultipolepotential.cc:39
void compute_pair(const GaussianShell &, const GaussianShell &)
Computes the electric field between two gaussian shells.
Definition: efpmultipolepotential.cc:63
Gaussian orbital shell.
Definition: gshell.h:189
virtual ~EFPMultipolePotentialInt()
Virtual destructor.
Definition: efpmultipolepotential.cc:57
int deriv() const
What order of derivative was requested?
Definition: onebody.h:130