/usr/include/ccfiles.h is in libpsi3-dev 3.4.0-6+b1.
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 | #ifndef _psi_include_ccfiles_h_
#define _psi_include_ccfiles_h_
/* The miscellaneous CC information file */
#define CC_INFO 100
/* One-electron integral files */
#define CC_OEI 101
/* Two-electron integral files */ /* pqnum rsnum */
#define CC_AINTS 102
#define CC_BINTS 103
#define CC_CINTS 104
#define CC_DINTS 105
#define CC_EINTS 106
#define CC_FINTS 107
/* Two-electron amplitudes, intermediates, and densities */
#define CC_DENOM 108
#define CC_TAMPS 109
#define CC_GAMMA 110
#define CC_MISC 111
#define CC_HBAR 112
#define CC_OEI_NEW 113
#define CC_GAMMA_NEW 114
#define CC_AINTS_NEW 115
#define CC_BINTS_NEW 116
#define CC_CINTS_NEW 117
#define CC_DINTS_NEW 118
#define CC_EINTS_NEW 119
#define CC_FINTS_NEW 120
/* ground state lambda and intermediates for excited states */
#define CC_LAMBDA 121
/* converged eigenvectors of hbar */
#define CC_RAMPS 122
#define CC_LAMPS 123
#define CC_LR 124
#define CC_DIIS_ERR 125
#define CC_DIIS_AMP 126
#define CC_TMP 127
#define CC_TMP0 128
#define CC_TMP1 129
#define CC_TMP2 130
#define CC_TMP3 131
#define CC_TMP4 132
#define CC_TMP5 133
#define CC_TMP6 134
#define CC_TMP7 135
#define CC_TMP8 135
#define CC_TMP9 137
#define CC_TMP10 138
#define CC_TMP11 139
/* temporary files for CCEOM and CCLAMBDA */
#define EOM_D 140
#define EOM_CME 141
#define EOM_Cme 142
#define EOM_CMNEF 143
#define EOM_Cmnef 144
#define EOM_CMnEf 145
#define EOM_SIA 146
#define EOM_Sia 147
#define EOM_SIJAB 148
#define EOM_Sijab 149
#define EOM_SIjAb 150
#define EOM_R 151 /* holds residual */
#define CC_GLG 152 /* left-hand psi for g.s. parts of cc-density */
#define CC_GL 153 /* left-hand psi for e.s. parts of cc-density */
#define CC_GR 154 /* right-hand eigenvector for cc-density */
#define EOM_TMP1 155 /* intermediates just for single contractions */
#define EOM_TMP0 156 /* temporary copies of density */
#define EOM_TMP_XI 157 /* intermediates for xi computation */
#define EOM_XI 158 /* xi = dE/dt amplitudes */
#define EOM_TMP 159 /* intermediates used more than once */
#define CC3_HET1 160 /* [H,e^T1] */
#define CC3_HC1 161 /* [H,C1] */
#define CC3_HC1ET1 162 /* [[H,e^T1],C1] */
#define CC3_MISC 163 /* various intermediates needed in CC3 codes */
#define CC2_HET1 164 /* [H,e^T1] */
/* Markers for the first and last file numbers */
#define CC_MIN CC_INFO
#define CC_MAX CC2_HET1
#endif /* header guard */
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