QMCPACK
NLPP.h
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1 //////////////////////////////////////////////////////////////////////////////////////
2 // This file is distributed under the University of Illinois/NCSA Open Source License.
3 // See LICENSE file in top directory for details.
4 //
5 // Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
6 //
7 // File developed by: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
8 // Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
9 //
10 // File created by: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
11 //////////////////////////////////////////////////////////////////////////////////////
12 
13 
14 #ifndef CUDA_NLPP_H
15 #define CUDA_NLPP_H
16 
17 void find_core_electrons_PBC(float* R[],
18  int numElec,
19  float I[],
20  int firstIon,
21  int lastIon,
22  float rcut,
23  float L[],
24  float Linv[],
25  int2* pairs[],
26  float* dist[],
27  int numPairs[],
28  int numWalkers);
29 void find_core_electrons_PBC(double* R[],
30  int numElec,
31  double I[],
32  int firstIon,
33  int lastIon,
34  double rcut,
35  double L[],
36  double Linv[],
37  int2* pairs[],
38  double* dist[],
39  int numPairs[],
40  int numWalkers);
41 
42 void find_core_electrons_PBC(float* R[],
43  int numElec,
44  float I[],
45  int firstIon,
46  int lastIon,
47  float rcut,
48  float L[],
49  float Linv[],
50  float quadPoints[],
51  int numQuadPoints,
52  int* elecs[],
53  float* ratioPos[],
54  float* dist_list[],
55  float* cosTheta_list[],
56  int numPairs[],
57  int numWalkers);
58 
59 void find_core_electrons_PBC(double* R[],
60  int numElec,
61  double I[],
62  int firstIon,
63  int lastIon,
64  double rcut,
65  double L[],
66  double Linv[],
67  double quadPoints[],
68  int numQuadPoints,
69  int* elecs[],
70  double* ratioPos[],
71  double* dist_list[],
72  double* cosTheta_list[],
73  int numPairs[],
74  int numWalkers);
75 
76 
77 void find_core_electrons(float* R[],
78  int numElec,
79  float I[],
80  int firstIon,
81  int lastIon,
82  float rcut,
83  int2* pairs[],
84  float* dist[],
85  int numPairs[],
86  int numWalkers);
87 void find_core_electrons(double* R[],
88  int numElec,
89  double I[],
90  int firstIon,
91  int lastIon,
92  double rcut,
93  double L[],
94  double Linv[],
95  int2* pairs[],
96  double* dist[],
97  int numPairs[],
98  int numWalkers);
99 
100 void find_core_electrons(float* R[],
101  int numElec,
102  float I[],
103  int firstIon,
104  int lastIon,
105  float rcut,
106  float quadPoints[],
107  int numQuadPoints,
108  int* elecs[],
109  float* ratioPos[],
110  float* dist_list[],
111  float* cosTheta_list[],
112  int numPairs[],
113  int numWalkers);
114 
115 void find_core_electrons(double* R[],
116  int numElec,
117  double I[],
118  int firstIon,
119  int lastIon,
120  double rcut,
121  double quadPoints[],
122  int numQuadPoints,
123  int* elecs[],
124  double* ratioPos[],
125  double* dist_list[],
126  double* cosTheta_list[],
127  int numPairs[],
128  int numWalkers);
129 
130 #endif
find_core_electrons_PBC
void find_core_electrons_PBC(float *R[], int numElec, float I[], int firstIon, int lastIon, float rcut, float L[], float Linv[], int2 *pairs[], float *dist[], int numPairs[], int numWalkers)
I
std::complex< double > I
Definition: soecp_eval_reference.cpp:180
find_core_electrons
void find_core_electrons(float *R[], int numElec, float I[], int firstIon, int lastIon, float rcut, int2 *pairs[], float *dist[], int numPairs[], int numWalkers)