1 //
2 // File: NWChem_IntegralEvaluator3_Impl.cc
3 // Symbol: NWChem.IntegralEvaluator3-v0.4
4 // Symbol Type: class
5 // Babel Version: 0.10.12
6 // Description: Server-side implementation for NWChem.IntegralEvaluator3
7 //
8 // WARNING: Automatically generated; only changes within splicers preserved
9 //
10 // babel-version = 0.10.12
11 // xml-url = /home/windus/CCA/mcmd-paper/nwchem/src/cca/repo/NWChem.IntegralEvaluator3-v0.4.xml
12 //
13 #include "NWChem_IntegralEvaluator3_Impl.hh"
14
15 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3._includes)
16 // Insert-Code-Here {NWChem.IntegralEvaluator3._includes} (additional includes or code)
17 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3._includes)
18
19 // user-defined constructor.
_ctor()20 void NWChem::IntegralEvaluator3_impl::_ctor() {
21 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3._ctor)
22 // Insert-Code-Here {NWChem.IntegralEvaluator3._ctor} (constructor)
23 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3._ctor)
24 }
25
26 // user-defined destructor.
_dtor()27 void NWChem::IntegralEvaluator3_impl::_dtor() {
28 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3._dtor)
29 // Insert-Code-Here {NWChem.IntegralEvaluator3._dtor} (destructor)
30 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3._dtor)
31 }
32
33 // static class initializer.
_load()34 void NWChem::IntegralEvaluator3_impl::_load() {
35 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3._load)
36 // Insert-Code-Here {NWChem.IntegralEvaluator3._load} (class initialization)
37 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3._load)
38 }
39
40 // user-defined static methods: (none)
41
42 // user-defined non-static methods:
43 /**
44 * Get buffer pointer for given type.
45 * @return Buffer pointer.
46 */
47 void*
get_buffer(::Chemistry::QC::GaussianBasis::IntegralDescr desc)48 NWChem::IntegralEvaluator3_impl::get_buffer (
49 /* in */ ::Chemistry::QC::GaussianBasis::IntegralDescr desc )
50 throw (
51 ::sidl::BaseException
52 ){
53 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3.get_buffer)
54 // Insert-Code-Here {NWChem.IntegralEvaluator3.get_buffer} (get_buffer method)
55 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3.get_buffer)
56 }
57
58 /**
59 * Method: get_descriptor[]
60 */
61 ::Chemistry::QC::GaussianBasis::CompositeIntegralDescr
get_descriptor()62 NWChem::IntegralEvaluator3_impl::get_descriptor ()
63 throw (
64 ::sidl::BaseException
65 )
66 {
67 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3.get_descriptor)
68 // Insert-Code-Here {NWChem.IntegralEvaluator3.get_descriptor} (get_descriptor method)
69 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3.get_descriptor)
70 }
71
72 /**
73 * Compute a shell triplet of integrals.
74 * @param shellnum1 Gaussian shell number 1.
75 * @param shellnum2 Gaussian shell number 2.
76 * @param shellnum3 Gaussian shell number 3.
77 * @param deriv_level Derivative level.
78 */
79 void
compute(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3)80 NWChem::IntegralEvaluator3_impl::compute (
81 /* in */ int64_t shellnum1,
82 /* in */ int64_t shellnum2,
83 /* in */ int64_t shellnum3 )
84 throw (
85 ::sidl::BaseException
86 ){
87 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3.compute)
88 // Insert-Code-Here {NWChem.IntegralEvaluator3.compute} (compute method)
89 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3.compute)
90 }
91
92 /**
93 * Compute a shell triplet of integrals and return as a borrowed
94 * sidl array.
95 * @param shellnum1 Gaussian shell number 1.
96 * @param shellnum2 Gaussian shell number 2.
97 * @param shellnum3 Gaussian shell number 3.
98 * @return Borrowed sidl array buffer.
99 */
100 ::sidl::array<double>
compute_array(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3)101 NWChem::IntegralEvaluator3_impl::compute_array (
102 /* in */ int64_t shellnum1,
103 /* in */ int64_t shellnum2,
104 /* in */ int64_t shellnum3 )
105 throw (
106 ::sidl::BaseException
107 ){
108 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3.compute_array)
109 // Insert-Code-Here {NWChem.IntegralEvaluator3.compute_array} (compute_array method)
110 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3.compute_array)
111 }
112
113 /**
114 * Compute integral bounds.
115 * @param shellnum1 Gaussian shell number 1.
116 * @param shellnum2 Gaussian shell number 2.
117 * @param shellnum3 Gaussian shell number 3.
118 */
119 double
compute_bounds(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3)120 NWChem::IntegralEvaluator3_impl::compute_bounds (
121 /* in */ int64_t shellnum1,
122 /* in */ int64_t shellnum2,
123 /* in */ int64_t shellnum3 )
124 throw (
125 ::sidl::BaseException
126 ){
127 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3.compute_bounds)
128 // Insert-Code-Here {NWChem.IntegralEvaluator3.compute_bounds} (compute_bounds method)
129 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3.compute_bounds)
130 }
131
132 /**
133 * Compute array of integral bounds.
134 * @param shellnum1 Gaussian shell number 1.
135 * @param shellnum2 Gaussian shell number 2.
136 * @param shellnum3 Gaussian shell number 3.
137 */
138 ::sidl::array<double>
compute_bounds_array(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3)139 NWChem::IntegralEvaluator3_impl::compute_bounds_array (
140 /* in */ int64_t shellnum1,
141 /* in */ int64_t shellnum2,
142 /* in */ int64_t shellnum3 )
143 throw (
144 ::sidl::BaseException
145 ){
146 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3.compute_bounds_array)
147 // Insert-Code-Here {NWChem.IntegralEvaluator3.compute_bounds_array} (compute_bounds_array method)
148 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3.compute_bounds_array)
149 }
150
151
152 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator3._misc)
153 // Insert-Code-Here {NWChem.IntegralEvaluator3._misc} (miscellaneous code)
154 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator3._misc)
155
156