/usr/include/libint2/libint2_params.h is in libint2-dev 2.1.0~beta2-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 | #ifndef _libint2_libint2params_h_
#define _libint2_libint2params_h_
#ifndef LIBINT2_API_PREFIX
# define LIBINT2_API_PREFIX
#endif
#ifndef LIBINT2_MAX_VECLEN
# define LIBINT2_MAX_VECLEN 1
#endif
#ifndef LIBINT2_CONTRACTED_INTS
# define LIBINT2_CONTRACTED_INTS 1
#endif
#ifndef LIBINT2_USE_COMPOSITE_EVALUATORS
# define LIBINT2_USE_COMPOSITE_EVALUATORS 1
#endif
#ifndef LIBINT2_CARTGAUSS_MAX_AM
# define LIBINT2_CARTGAUSS_MAX_AM 32
#endif
#ifndef LIBINT2_CGSHELL_ORDERING
# define LIBINT2_CGSHELL_ORDERING 1
#endif
#ifndef LIBINT2_CGSHELL_ORDERING_STANDARD
# define LIBINT2_CGSHELL_ORDERING_STANDARD 1
#endif
#ifndef LIBINT2_CGSHELL_ORDERING_INTV3
# define LIBINT2_CGSHELL_ORDERING_INTV3 2
#endif
#ifndef LIBINT2_CGSHELL_ORDERING_GAMESS
# define LIBINT2_CGSHELL_ORDERING_GAMESS 3
#endif
#ifndef LIBINT2_CGSHELL_ORDERING_ORCA
# define LIBINT2_CGSHELL_ORDERING_ORCA 4
#endif
#ifndef LIBINT2_CGSHELL_ORDERING_BAGEL
# define LIBINT2_CGSHELL_ORDERING_BAGEL 5
#endif
#ifndef LIBINT2_SHELLQUARTET_SET
# define LIBINT2_SHELLQUARTET_SET 1
#endif
#ifndef LIBINT2_SHELLQUARTET_SET_STANDARD
# define LIBINT2_SHELLQUARTET_SET_STANDARD 1
#endif
#ifndef LIBINT2_SHELLQUARTET_SET_ORCA
# define LIBINT2_SHELLQUARTET_SET_ORCA 2
#endif
#ifndef LIBINT2_MAX_AM
# define LIBINT2_MAX_AM 6
#endif
#ifndef LIBINT2_MAX_AM_overlap
# define LIBINT2_MAX_AM_overlap 6
#endif
#ifndef LIBINT2_MAX_AM_kinetic
# define LIBINT2_MAX_AM_kinetic 6
#endif
#ifndef LIBINT2_MAX_AM_elecpot
# define LIBINT2_MAX_AM_elecpot 6
#endif
#ifndef LIBINT2_MAX_AM_1emultipole
# define LIBINT2_MAX_AM_1emultipole 6
#endif
#ifndef LIBINT2_MAX_AM_2emultipole
# define LIBINT2_MAX_AM_2emultipole 6
#endif
#ifndef LIBINT2_MAX_AM_ERI
# define LIBINT2_MAX_AM_ERI 6
#endif
#ifndef LIBINT2_SUPPORT_ONEBODY
# define LIBINT2_SUPPORT_ONEBODY 1
#endif
#ifndef LIBINT2_DERIV_ONEBODY_ORDER
# define LIBINT2_DERIV_ONEBODY_ORDER 0
#endif
#ifndef LIBINT2_SUPPORT_ERI
# define LIBINT2_SUPPORT_ERI 1
#endif
#ifndef LIBINT2_DERIV_ERI_ORDER
# define LIBINT2_DERIV_ERI_ORDER 0
#endif
#define LIBINT2_NUM_TARGETS_default 1
#define LIBINT2_MAX_STACK_SIZE_0_default 1
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_default 0
#define LIBINT2_MAX_HRR_HSRANK_0_default 0
#define LIBINT2_MAX_HRR_LSRANK_0_default 0
#define LIBINT2_NUM_TARGETS_overlap 1
#define LIBINT2_MAX_STACK_SIZE_0_overlap 1
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_0_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_0_overlap 0
#define LIBINT2_MAX_STACK_SIZE_1_overlap 77
#define LIBINT2_MAX_VECTOR_STACK_SIZE_1_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_1_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_1_overlap 0
#define LIBINT2_MAX_STACK_SIZE_2_overlap 210
#define LIBINT2_MAX_VECTOR_STACK_SIZE_2_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_2_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_2_overlap 0
#define LIBINT2_MAX_STACK_SIZE_3_overlap 399
#define LIBINT2_MAX_VECTOR_STACK_SIZE_3_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_3_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_3_overlap 0
#define LIBINT2_MAX_STACK_SIZE_4_overlap 644
#define LIBINT2_MAX_VECTOR_STACK_SIZE_4_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_4_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_4_overlap 0
#define LIBINT2_MAX_STACK_SIZE_5_overlap 990
#define LIBINT2_MAX_VECTOR_STACK_SIZE_5_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_5_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_5_overlap 0
#define LIBINT2_MAX_STACK_SIZE_6_overlap 1715
#define LIBINT2_MAX_VECTOR_STACK_SIZE_6_overlap 0
#define LIBINT2_MAX_HRR_HSRANK_6_overlap 0
#define LIBINT2_MAX_HRR_LSRANK_6_overlap 0
#define LIBINT2_NUM_TARGETS_kinetic 1
#define LIBINT2_MAX_STACK_SIZE_0_kinetic 1
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_0_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_0_kinetic 0
#define LIBINT2_MAX_STACK_SIZE_1_kinetic 104
#define LIBINT2_MAX_VECTOR_STACK_SIZE_1_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_1_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_1_kinetic 0
#define LIBINT2_MAX_STACK_SIZE_2_kinetic 240
#define LIBINT2_MAX_VECTOR_STACK_SIZE_2_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_2_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_2_kinetic 0
#define LIBINT2_MAX_STACK_SIZE_3_kinetic 432
#define LIBINT2_MAX_VECTOR_STACK_SIZE_3_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_3_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_3_kinetic 0
#define LIBINT2_MAX_STACK_SIZE_4_kinetic 680
#define LIBINT2_MAX_VECTOR_STACK_SIZE_4_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_4_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_4_kinetic 0
#define LIBINT2_MAX_STACK_SIZE_5_kinetic 1029
#define LIBINT2_MAX_VECTOR_STACK_SIZE_5_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_5_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_5_kinetic 0
#define LIBINT2_MAX_STACK_SIZE_6_kinetic 1760
#define LIBINT2_MAX_VECTOR_STACK_SIZE_6_kinetic 0
#define LIBINT2_MAX_HRR_HSRANK_6_kinetic 0
#define LIBINT2_MAX_HRR_LSRANK_6_kinetic 0
#define LIBINT2_NUM_TARGETS_elecpot 1
#define LIBINT2_MAX_STACK_SIZE_0_elecpot 1
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_0_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_0_elecpot 0
#define LIBINT2_MAX_STACK_SIZE_1_elecpot 671
#define LIBINT2_MAX_VECTOR_STACK_SIZE_1_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_1_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_1_elecpot 0
#define LIBINT2_MAX_STACK_SIZE_2_elecpot 1065
#define LIBINT2_MAX_VECTOR_STACK_SIZE_2_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_2_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_2_elecpot 0
#define LIBINT2_MAX_STACK_SIZE_3_elecpot 1563
#define LIBINT2_MAX_VECTOR_STACK_SIZE_3_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_3_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_3_elecpot 0
#define LIBINT2_MAX_STACK_SIZE_4_elecpot 2074
#define LIBINT2_MAX_VECTOR_STACK_SIZE_4_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_4_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_4_elecpot 0
#define LIBINT2_MAX_STACK_SIZE_5_elecpot 3021
#define LIBINT2_MAX_VECTOR_STACK_SIZE_5_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_5_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_5_elecpot 0
#define LIBINT2_MAX_STACK_SIZE_6_elecpot 4711
#define LIBINT2_MAX_VECTOR_STACK_SIZE_6_elecpot 0
#define LIBINT2_MAX_HRR_HSRANK_6_elecpot 0
#define LIBINT2_MAX_HRR_LSRANK_6_elecpot 0
#define LIBINT2_NUM_TARGETS_1emultipole 4
#define LIBINT2_MAX_STACK_SIZE_0_1emultipole 4
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_0_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_0_1emultipole 0
#define LIBINT2_MAX_STACK_SIZE_1_1emultipole 248
#define LIBINT2_MAX_VECTOR_STACK_SIZE_1_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_1_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_1_1emultipole 0
#define LIBINT2_MAX_STACK_SIZE_2_1emultipole 720
#define LIBINT2_MAX_VECTOR_STACK_SIZE_2_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_2_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_2_1emultipole 0
#define LIBINT2_MAX_STACK_SIZE_3_1emultipole 1416
#define LIBINT2_MAX_VECTOR_STACK_SIZE_3_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_3_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_3_1emultipole 0
#define LIBINT2_MAX_STACK_SIZE_4_1emultipole 2336
#define LIBINT2_MAX_VECTOR_STACK_SIZE_4_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_4_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_4_1emultipole 0
#define LIBINT2_MAX_STACK_SIZE_5_1emultipole 3654
#define LIBINT2_MAX_VECTOR_STACK_SIZE_5_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_5_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_5_1emultipole 0
#define LIBINT2_MAX_STACK_SIZE_6_1emultipole 6440
#define LIBINT2_MAX_VECTOR_STACK_SIZE_6_1emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_6_1emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_6_1emultipole 0
#define LIBINT2_NUM_TARGETS_2emultipole 10
#define LIBINT2_MAX_STACK_SIZE_0_2emultipole 10
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_0_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_0_2emultipole 0
#define LIBINT2_MAX_STACK_SIZE_1_2emultipole 587
#define LIBINT2_MAX_VECTOR_STACK_SIZE_1_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_1_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_1_2emultipole 0
#define LIBINT2_MAX_STACK_SIZE_2_2emultipole 1734
#define LIBINT2_MAX_VECTOR_STACK_SIZE_2_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_2_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_2_2emultipole 0
#define LIBINT2_MAX_STACK_SIZE_3_2emultipole 3441
#define LIBINT2_MAX_VECTOR_STACK_SIZE_3_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_3_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_3_2emultipole 0
#define LIBINT2_MAX_STACK_SIZE_4_2emultipole 5708
#define LIBINT2_MAX_VECTOR_STACK_SIZE_4_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_4_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_4_2emultipole 0
#define LIBINT2_MAX_STACK_SIZE_5_2emultipole 8964
#define LIBINT2_MAX_VECTOR_STACK_SIZE_5_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_5_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_5_2emultipole 0
#define LIBINT2_MAX_STACK_SIZE_6_2emultipole 15869
#define LIBINT2_MAX_VECTOR_STACK_SIZE_6_2emultipole 0
#define LIBINT2_MAX_HRR_HSRANK_6_2emultipole 0
#define LIBINT2_MAX_HRR_LSRANK_6_2emultipole 0
#define LIBINT2_NUM_TARGETS_eri 1
#define LIBINT2_MAX_STACK_SIZE_0_eri 1
#define LIBINT2_MAX_VECTOR_STACK_SIZE_0_eri 0
#define LIBINT2_MAX_HRR_HSRANK_0_eri 0
#define LIBINT2_MAX_HRR_LSRANK_0_eri 0
#define LIBINT2_MAX_STACK_SIZE_1_eri 14133
#define LIBINT2_MAX_VECTOR_STACK_SIZE_1_eri 0
#define LIBINT2_MAX_HRR_HSRANK_1_eri 0
#define LIBINT2_MAX_HRR_LSRANK_1_eri 0
#define LIBINT2_MAX_STACK_SIZE_2_eri 59478
#define LIBINT2_MAX_VECTOR_STACK_SIZE_2_eri 0
#define LIBINT2_MAX_HRR_HSRANK_2_eri 0
#define LIBINT2_MAX_HRR_LSRANK_2_eri 0
#define LIBINT2_MAX_STACK_SIZE_3_eri 167538
#define LIBINT2_MAX_VECTOR_STACK_SIZE_3_eri 0
#define LIBINT2_MAX_HRR_HSRANK_3_eri 0
#define LIBINT2_MAX_HRR_LSRANK_3_eri 0
#define LIBINT2_MAX_STACK_SIZE_4_eri 536956
#define LIBINT2_MAX_VECTOR_STACK_SIZE_4_eri 0
#define LIBINT2_MAX_HRR_HSRANK_4_eri 0
#define LIBINT2_MAX_HRR_LSRANK_4_eri 0
#define LIBINT2_MAX_STACK_SIZE_5_eri 1163575
#define LIBINT2_MAX_VECTOR_STACK_SIZE_5_eri 0
#define LIBINT2_MAX_HRR_HSRANK_5_eri 0
#define LIBINT2_MAX_HRR_LSRANK_5_eri 0
#define LIBINT2_MAX_STACK_SIZE_6_eri 3554257
#define LIBINT2_MAX_VECTOR_STACK_SIZE_6_eri 0
#define LIBINT2_MAX_HRR_HSRANK_6_eri 0
#define LIBINT2_MAX_HRR_LSRANK_6_eri 0
#endif
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