Psi4
efpmultipolepotential.h
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27 
28 #ifndef _psi_src_lib_libmints_efpmultipolepotential_h_
29 #define _psi_src_lib_libmints_efpmultipolepotential_h_
30 
31 #include "psi4/libmints/onebody.h"
32 #include "psi4/libmints/osrecur.h"
33 
34 namespace psi {
35 
36 class BasisSet;
37 class GaussianShell;
38 class ObaraSaikaTwoCenterRecursion;
39 class OneBodyAOInt;
40 class PotentialInt;
41 class IntegralFactory;
42 class SphericalTransform;
43 class Vector3;
44 
45 
87 {
88  // OS Recursion for this type of potential integral
90 
92  void compute_pair(const GaussianShell&, const GaussianShell&);
93 
94 public:
96  EFPMultipolePotentialInt(std::vector<SphericalTransform>&, std::shared_ptr<BasisSet>, std::shared_ptr<BasisSet>, int deriv=0);
98  virtual ~EFPMultipolePotentialInt();
99 
100 };
101 
102 }
103 
104 #endif
Definition: onebody.h:55
Obara and Saika recursion object for potential integrals, and electric derivatives thereof...
Definition: osrecur.h:274
Definition: efpmultipolepotential.h:86
ObaraSaikaTwoCenterEFPRecursion mvi_recur_
Definition: efpmultipolepotential.h:89
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:38
void compute_pair(const GaussianShell &, const GaussianShell &)
Computes the electric field between two gaussian shells.
Definition: efpmultipolepotential.cc:62
Gaussian orbital shell.
Definition: gshell.h:191
virtual ~EFPMultipolePotentialInt()
Virtual destructor.
Definition: efpmultipolepotential.cc:56
int deriv() const
What order of derivative was requested?
Definition: onebody.h:130