MPQC 2.3.1
MPQC_IntegralEvaluator3_Impl.hh
1//
2// File: MPQC_IntegralEvaluator3_Impl.hh
3// Symbol: MPQC.IntegralEvaluator3-v0.2
4// Symbol Type: class
5// Babel Version: 0.10.2
6// Description: Server-side implementation for MPQC.IntegralEvaluator3
7//
8// WARNING: Automatically generated; only changes within splicers preserved
9//
10// babel-version = 0.10.2
11//
12
13#ifndef included_MPQC_IntegralEvaluator3_Impl_hh
14#define included_MPQC_IntegralEvaluator3_Impl_hh
15
16#ifndef included_sidl_cxx_hh
17#include "sidl_cxx.hh"
18#endif
19#ifndef included_MPQC_IntegralEvaluator3_IOR_h
20#include "MPQC_IntegralEvaluator3_IOR.h"
21#endif
22//
23// Includes for all method dependencies.
24//
25#ifndef included_Chemistry_QC_GaussianBasis_DerivCenters_hh
26#include "Chemistry_QC_GaussianBasis_DerivCenters.hh"
27#endif
28#ifndef included_Chemistry_QC_GaussianBasis_Molecular_hh
29#include "Chemistry_QC_GaussianBasis_Molecular.hh"
30#endif
31#ifndef included_MPQC_IntegralEvaluator3_hh
32#include "MPQC_IntegralEvaluator3.hh"
33#endif
34#ifndef included_sidl_BaseInterface_hh
35#include "sidl_BaseInterface.hh"
36#endif
37#ifndef included_sidl_ClassInfo_hh
38#include "sidl_ClassInfo.hh"
39#endif
40
41
42// DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._includes)
43// Put additional includes or other arbitrary code here...
44// DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._includes)
45
46namespace MPQC {
47
52 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._inherits)
53
64 // Put additional inheritance here...
65 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._inherits)
66 {
67
68 private:
69 // Pointer back to IOR.
70 // Use this to dispatch back through IOR vtable.
71 IntegralEvaluator3 self;
72
73 // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._implementation)
74 // Put additional implementation details here...
75 // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._implementation)
76
77 private:
78 // private default constructor (required)
80 {}
81
82 public:
83 // sidl constructor (required)
84 // Note: alternate Skel constructor doesn't call addref()
85 // (fixes bug #275)
86 IntegralEvaluator3_impl( struct MPQC_IntegralEvaluator3__object * s ) :
87 self(s,true) { _ctor(); }
88
89 // user defined construction
90 void _ctor();
91
92 // virtual destructor (required)
93 virtual ~IntegralEvaluator3_impl() { _dtor(); }
94
95 // user defined destruction
96 void _dtor();
97
98 // static class initializer
99 static void _load();
100
101 public:
102
106 void
108 /* in */ const ::std::string& label
109 )
110 throw ()
111 ;
112
113
122 void
124 /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1,
125 /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2,
126 /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3,
127 /* in */ const ::std::string& label,
128 /* in */ int64_t max_deriv
129 )
130 throw ()
131 ;
132
133
138 void*
139 get_buffer() throw ()
140 ;
141
150 void
152 /* in */ int64_t shellnum1,
153 /* in */ int64_t shellnum2,
154 /* in */ int64_t shellnum3,
155 /* in */ int64_t deriv_level,
156 /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr
157 )
158 throw ()
159 ;
160
161
172 ::sidl::array<double>
174 /* in */ int64_t shellnum1,
175 /* in */ int64_t shellnum2,
176 /* in */ int64_t shellnum3,
177 /* in */ int64_t deriv_level,
178 /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr
179 )
180 throw ()
181 ;
182
183 }; // end class IntegralEvaluator3_impl
184
185} // end namespace MPQC
186
187// DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._misc)
188// Put miscellaneous things here...
189// DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._misc)
190
191#endif
Symbol "MPQC.IntegralEvaluator3" (version 0.2)
Definition MPQC_IntegralEvaluator3_Impl.hh:66
void * get_buffer()
Get the buffer pointer.
::sidl::array< double > compute_array(int64_t shellnum1, int64_t shellnum2, int64_t shellnum3, int64_t deriv_level, ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr)
Compute a shell triplet of integrals and return as a borrowed sidl array.
void set_integral_package(const ::std::string &label)
user defined non-static method.
void initialize(::Chemistry::QC::GaussianBasis::Molecular bs1, ::Chemistry::QC::GaussianBasis::Molecular bs2, ::Chemistry::QC::GaussianBasis::Molecular bs3, const ::std::string &label, int64_t max_deriv)
Initialize the evaluator.
void compute(int64_t shellnum1, int64_t shellnum2, int64_t shellnum3, int64_t deriv_level, ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr)
Compute a shell triplet of integrals.

Generated at Fri Dec 2 2022 21:09:13 for MPQC 2.3.1 using the documentation package Doxygen 1.9.8.