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 131