1 //
2 // File: NWChem_IntegralEvaluator4_Impl.cc
3 // Symbol: NWChem.IntegralEvaluator4-v0.4
4 // Symbol Type: class
5 // Babel Version: 0.10.12
6 // Description: Server-side implementation for NWChem.IntegralEvaluator4
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.IntegralEvaluator4-v0.4.xml
12 //
13 #include "NWChem_IntegralEvaluator4_Impl.hh"
14
15 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._includes)
16 // Insert-Code-Here {NWChem.IntegralEvaluator4._includes} (additional includes or code)
17 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._includes)
18
19 // user-defined constructor.
_ctor()20 void NWChem::IntegralEvaluator4_impl::_ctor() {
21 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._ctor)
22 // Insert-Code-Here {NWChem.IntegralEvaluator4._ctor} (constructor)
23 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._ctor)
24 }
25
26 // user-defined destructor.
_dtor()27 void NWChem::IntegralEvaluator4_impl::_dtor() {
28 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._dtor)
29 // Insert-Code-Here {NWChem.IntegralEvaluator4._dtor} (destructor)
30 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._dtor)
31 }
32
33 // static class initializer.
_load()34 void NWChem::IntegralEvaluator4_impl::_load() {
35 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._load)
36 // Insert-Code-Here {NWChem.IntegralEvaluator4._load} (class initialization)
37 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._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::IntegralEvaluator4_impl::get_buffer (
49 /* in */ ::Chemistry::QC::GaussianBasis::IntegralDescr desc )
50 throw (
51 ::sidl::BaseException
52 ){
53 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.get_buffer)
54 // Insert-Code-Here {NWChem.IntegralEvaluator4.get_buffer} (get_buffer method)
55 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.get_buffer)
56 }
57
58 /**
59 * Method: get_descriptor[]
60 */
61 ::Chemistry::QC::GaussianBasis::CompositeIntegralDescr
get_descriptor()62 NWChem::IntegralEvaluator4_impl::get_descriptor ()
63 throw (
64 ::sidl::BaseException
65 )
66 {
67 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.get_descriptor)
68 // Insert-Code-Here {NWChem.IntegralEvaluator4.get_descriptor} (get_descriptor method)
69 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.get_descriptor)
70 }
71
72 /**
73 * Compute a shell quartet 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 shellnum4 Gaussian shell number 4.
78 * @param deriv_level Derivative level.
79 */
80 void
compute(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)81 NWChem::IntegralEvaluator4_impl::compute (
82 /* in */ int64_t shellnum1,
83 /* in */ int64_t shellnum2,
84 /* in */ int64_t shellnum3,
85 /* in */ int64_t shellnum4 )
86 throw (
87 ::sidl::BaseException
88 ){
89 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute)
90 // Insert-Code-Here {NWChem.IntegralEvaluator4.compute} (compute method)
91 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute)
92 }
93
94 /**
95 * Compute a shell quartet of integrals and return as a borrowed
96 * sidl array.
97 * @param shellnum1 Gaussian shell number 1.
98 * @param shellnum2 Gaussian shell number 2.
99 * @param shellnum3 Gaussian shell number 3.
100 * @param shellnum4 Gaussian shell number 4.
101 * @return Borrowed sidl array buffer.
102 */
103 ::sidl::array<double>
compute_array(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)104 NWChem::IntegralEvaluator4_impl::compute_array (
105 /* in */ int64_t shellnum1,
106 /* in */ int64_t shellnum2,
107 /* in */ int64_t shellnum3,
108 /* in */ int64_t shellnum4 )
109 throw (
110 ::sidl::BaseException
111 ){
112 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute_array)
113 // Insert-Code-Here {NWChem.IntegralEvaluator4.compute_array} (compute_array method)
114 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute_array)
115 }
116
117 /**
118 * Compute integral bounds.
119 * @param shellnum1 Gaussian shell number 1.
120 * @param shellnum2 Gaussian shell number 2.
121 * @param shellnum3 Gaussian shell number 3.
122 * @param shellnum4 Gaussian shell number 4.
123 */
124 double
compute_bounds(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)125 NWChem::IntegralEvaluator4_impl::compute_bounds (
126 /* in */ int64_t shellnum1,
127 /* in */ int64_t shellnum2,
128 /* in */ int64_t shellnum3,
129 /* in */ int64_t shellnum4 )
130 throw (
131 ::sidl::BaseException
132 ){
133 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute_bounds)
134 // Insert-Code-Here {NWChem.IntegralEvaluator4.compute_bounds} (compute_bounds method)
135 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute_bounds)
136 }
137
138 /**
139 * Compute array of integral bounds.
140 * @param shellnum1 Gaussian shell number 1.
141 * @param shellnum2 Gaussian shell number 2.
142 * @param shellnum3 Gaussian shell number 3.
143 * @param shellnum4 Gaussian shell number 4.
144 */
145 ::sidl::array<double>
compute_bounds_array(int64_t shellnum1,int64_t shellnum2,int64_t shellnum3,int64_t shellnum4)146 NWChem::IntegralEvaluator4_impl::compute_bounds_array (
147 /* in */ int64_t shellnum1,
148 /* in */ int64_t shellnum2,
149 /* in */ int64_t shellnum3,
150 /* in */ int64_t shellnum4 )
151 throw (
152 ::sidl::BaseException
153 ){
154 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4.compute_bounds_array)
155 // Insert-Code-Here {NWChem.IntegralEvaluator4.compute_bounds_array} (compute_bounds_array method)
156 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4.compute_bounds_array)
157 }
158
159
160 // DO-NOT-DELETE splicer.begin(NWChem.IntegralEvaluator4._misc)
161 // Insert-Code-Here {NWChem.IntegralEvaluator4._misc} (miscellaneous code)
162 // DO-NOT-DELETE splicer.end(NWChem.IntegralEvaluator4._misc)
163
164