/*
 * @BEGIN LICENSE
 *
 * Psi4: an open-source quantum chemistry software package
 *
 * Copyright (c) 2007-2022 The Psi4 Developers.
 *
 * The copyrights for code used from other parties are included in
 * the corresponding files.
 *
 * This file is part of Psi4.
 *
 * Psi4 is free software; you can redistribute it and/or modify
 * it under the terms of the GNU Lesser General Public License as published by
 * the Free Software Foundation, version 3.
 *
 * Psi4 is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License along
 * with Psi4; if not, write to the Free Software Foundation, Inc.,
 * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
 *
 * @END LICENSE
 */

/*
** PSIFILES.H
**
** This header file contains the definitions of the numbers assigned
**  to various binary files in PSI.  This was created primarily to
**  help avoid conflicts in the numbering of new PSI files in developmental
**  programs but will grow to encompass some older binary files.
**
** This additional level of abstraction will aid in the maintenance of
**  code.  You are strongly encouraged to refer to files using these
**  definitions rather than the actual numbers; the numbers may change
**  in the future but the names will not.
**
** Created by C. David Sherrill on 29 April 1998
**
** Make sure that you comment any new additions to this, so they are inlined
**  into the manual as well as the psifiles.py python file.  Note the format
**  of the existing comment markers, and keep comments on one line.
*/

#ifndef _psi_include_psifiles_h_
#define _psi_include_psifiles_h_

#define PSI_DEFAULT_FILE_PREFIX "psi"

// clang-format off
#define PSIF_OPTKING             1    /*-  -*/
#define PSIF_GRAD                11   /*- geometry optimization, geometry, and gradient; currently is an ASCII file like output.grad -*/
#define PSIF_INTCO               12   /*- internal coordinates file, currently is ASCII file like output.intco -*/
#define PSIF_3INDEX              16   /*-  -*/
#define PSIF_SO_TEI              33   /*-  -*/
#define PSIF_SO_PK               34   /*-  -*/
#define PSIF_OEI                 35   /*-  -*/
#define PSIF_SO_ERF_TEI          36   /*-  -*/
#define PSIF_SO_ERFC_TEI         37   /*-  -*/
#define PSIF_SO_R12              38   /*-  -*/
#define PSIF_SO_R12T1            39   /*-  -*/
#define PSIF_DERINFO             40   /*-  -*/
#define PSIF_SO_PRESORT          41   /*-  -*/
#define PSIF_CIVECT              43   /*- CI vector from DETCI along with string and determinant info -*/

#define PSIF_AO_DGDBX            44   /*- B-field derivative AO integrals over GIAO Gaussians -- only bra-ket permutational symmetry holds -*/
#define PSIF_AO_DGDBY            45   /*-  -*/
#define PSIF_AO_DGDBZ            46   /*-  -*/
/* PSIMRCC files */
#define PSIF_PSIMRCC_INTEGRALS   50   /*-  -*/
#define PSIF_PSIMRCC_RESTART     51   /*-  -*/
/* MCSCF files */
#define PSIF_MCSCF               52   /*-  -*/
#define PSIF_TPDM_HALFTRANS      53   /*-  -*/
#define PSIF_DETCAS              60   /*-  -*/
// The integral files used by libtrans
#define PSIF_LIBTRANS_DPD        61   /*- libtrans: All transformed integrals in DPD format are sent here by default -*/
#define PSIF_LIBTRANS_A_HT       62   /*- libtrans: Alpha half-transformed integrals in DPD format -*/
#define PSIF_LIBTRANS_B_HT       63   /*- libtrans: Beta half-transformed integrals in DPD format -*/

#define PSIF_LIBDIIS             64   /*- Storage for libdiis -*/

#define PSIF_TPDM_PRESORT        71   /*-  -*/
#define PSIF_MO_TEI              72   /*-  -*/
#define PSIF_MO_OPDM             73   /*-  -*/
#define PSIF_MO_TPDM             74   /*-  -*/
#define PSIF_MO_LAG              75   /*-  -*/
#define PSIF_AO_OPDM             76   /*- PSIF_AO_OPDM also contains AO Lagrangian -*/
#define PSIF_AO_TPDM             77   /*-  -*/

#define PSIF_MO_R12              79   /*-  -*/
#define PSIF_MO_R12T2            80   /*-  -*/

/*
** Additions for UHF-based transformations.
** -TDC, 6/01
*/
#define PSIF_MO_AA_TEI           81   /*-  -*/
#define PSIF_MO_BB_TEI           82   /*-  -*/
#define PSIF_MO_AB_TEI           83   /*-  -*/
#define PSIF_MO_AA_TPDM          84   /*-  -*/
#define PSIF_MO_BB_TPDM          85   /*-  -*/
#define PSIF_MO_AB_TPDM          86   /*-  -*/
#define PSIF_AA_PRESORT          87   /*- AA UHF twopdm presort file -*/
#define PSIF_BB_PRESORT          88   /*- BB UHF twopdm presort file -*/
#define PSIF_AB_PRESORT          89   /*- AB UHF twopdm presort file -*/

#define PSIF_SO_PKSUPER1         92   /*-  -*/
#define PSIF_SO_PKSUPER2         93   /*-  -*/

// The half-transformed integrals
#define PSIF_HALFT0              94   /*-  -*/
#define PSIF_HALFT1              95   /*-  -*/

#define PSIF_DFSCF_BJ            97   /*- B Matrix containing 3-index tensor in AOs with J^-1/2 for use with DF-SCF -*/

// The miscellaneous CC information file
#define PSIF_CC_INFO             100  /*-  -*/
// One-electron integral files
#define PSIF_CC_OEI              101  /*-  -*/
// Two-electron integral files   /* pqnum  rsnum */
#define PSIF_CC_AINTS            102  /*-  -*/
#define PSIF_CC_BINTS            103  /*-  -*/
#define PSIF_CC_CINTS            104  /*-  -*/
#define PSIF_CC_DINTS            105  /*-  -*/
#define PSIF_CC_EINTS            106  /*-  -*/
#define PSIF_CC_FINTS            107  /*-  -*/

// Two-electron amplitudes, intermediates, and densities
#define PSIF_CC_DENOM            108  /*-  -*/
#define PSIF_CC_TAMPS            109  /*-  -*/
#define PSIF_CC_GAMMA            110  /*-  -*/
#define PSIF_CC_MISC             111  /*-  -*/
#define PSIF_CC_HBAR             112  /*-  -*/

#define PSIF_CC_OEI_NEW          113  /*-  -*/
#define PSIF_CC_GAMMA_NEW        114  /*-  -*/
#define PSIF_CC_AINTS_NEW        115  /*-  -*/
#define PSIF_CC_BINTS_NEW        116  /*-  -*/
#define PSIF_CC_CINTS_NEW        117  /*-  -*/
#define PSIF_CC_DINTS_NEW        118  /*-  -*/
#define PSIF_CC_EINTS_NEW        119  /*-  -*/
#define PSIF_CC_FINTS_NEW        120  /*-  -*/

// ground state lambda and intermediates for excited states
#define PSIF_CC_LAMBDA           121  /*-  -*/

// converged eigenvectors of hbar
#define PSIF_CC_RAMPS            122  /*-  -*/
#define PSIF_CC_LAMPS            123  /*-  -*/

#define PSIF_CC_LR               124  /*-  -*/

#define PSIF_CC_DIIS_ERR         125  /*-  -*/
#define PSIF_CC_DIIS_AMP         126  /*-  -*/

#define PSIF_CC_TMP              127  /*-  -*/
#define PSIF_CC_TMP0             128  /*-  -*/
#define PSIF_CC_TMP1             129  /*-  -*/
#define PSIF_CC_TMP2             130  /*-  -*/
#define PSIF_CC_TMP3             131  /*-  -*/
#define PSIF_CC_TMP4             132  /*-  -*/
#define PSIF_CC_TMP5             133  /*-  -*/
#define PSIF_CC_TMP6             134  /*-  -*/
#define PSIF_CC_TMP7             135  /*-  -*/
#define PSIF_CC_TMP8             135  /*-  -*/
#define PSIF_CC_TMP9             137  /*-  -*/
#define PSIF_CC_TMP10            138  /*-  -*/
#define PSIF_CC_TMP11            139  /*-  -*/
// temporary files for CCEOM and CCLAMBDA
#define PSIF_EOM_D               140  /*-  -*/
#define PSIF_EOM_CME             141  /*-  -*/
#define PSIF_EOM_Cme             142  /*-  -*/
#define PSIF_EOM_CMNEF           143  /*-  -*/
#define PSIF_EOM_Cmnef           144  /*-  -*/
#define PSIF_EOM_CMnEf           145  /*-  -*/
#define PSIF_EOM_SIA             146  /*-  -*/
#define PSIF_EOM_Sia             147  /*-  -*/
#define PSIF_EOM_SIJAB           148  /*-  -*/
#define PSIF_EOM_Sijab           149  /*-  -*/
#define PSIF_EOM_SIjAb           150  /*-  -*/
#define PSIF_EOM_R               151  /*- holds residual -*/
#define PSIF_CC_GLG              152  /*- left-hand psi for g.s. parts of cc-density -*/
#define PSIF_CC_GL               153  /*- left-hand psi for e.s. parts of cc-density -*/
#define PSIF_CC_GR               154  /*- right-hand eigenvector for cc-density -*/
#define PSIF_EOM_TMP1            155  /*- intermediates just for single contractions -*/
#define PSIF_EOM_TMP0            156  /*- temporary copies of density -*/
#define PSIF_EOM_TMP_XI          157  /*- intermediates for xi computation -*/
#define PSIF_EOM_XI              158  /*- xi = dE/dt amplitudes -*/
#define PSIF_EOM_TMP             159  /*- intermediates used more than once -*/
#define PSIF_CC3_HET1            160  /*- [H,e^T1] -*/
#define PSIF_CC3_HC1             161  /*- [H,C1] -*/
#define PSIF_CC3_HC1ET1          162  /*- [[H,e^T1],C1] -*/
#define PSIF_CC3_MISC            163  /*- various intermediates needed in CC3 codes -*/
#define PSIF_CC2_HET1            164  /*- [H,e^T1] -*/

// Markers for the first and last CC file numbers
#define PSIF_CC_MIN              PSIF_CC_INFO   /*-  -*/
#define PSIF_CC_MAX              PSIF_CC2_HET1  /*-  -*/

#define PSIF_WK_PK               165  /*- File to contain wK pre-sorted integrals for PK -*/

#define PSIF_SCF_MOS             180  /*- Save SCF orbitals for re-use later as guess, etc. -*/
#define PSIF_DFMP2_AIA           181  /*- Unfitted three-index MO ints for DFMP2 -*/
#define PSIF_DFMP2_QIA           182  /*- Fitted-three index MO ints for DFMP2 -*/

#define PSIF_SAPT_DIMER          190  /*- SAPT Two-Body Dimer -*/
#define PSIF_SAPT_MONOMERA       191  /*- SAPT Two-Body Mon A -*/
#define PSIF_SAPT_MONOMERB       192  /*- SAPT Two-Body Mon B -*/

#define PSIF_SAPT_AA_DF_INTS     193  /*- SAPT AA DF Ints -*/
#define PSIF_SAPT_AB_DF_INTS     194  /*- SAPT AB DF Ints -*/
#define PSIF_SAPT_BB_DF_INTS     195  /*- SAPT BB DF Ints -*/
#define PSIF_SAPT_AMPS           196  /*- SAPT Amplitudes -*/
#define PSIF_SAPT_TEMP           197  /*- SAPT Temporary worlds fastest code file -*/

#define PSIF_SAPT_LRINTS         198  /*- SAPT0 2-Body linear response LDA integrals -*/

#define PSIF_3B_SAPT_TRIMER      220  /*- SAPT Three-Body Trimer -*/
#define PSIF_3B_SAPT_DIMER_AB    221  /*- SAPT Three-Body Dimer AB -*/
#define PSIF_3B_SAPT_DIMER_AC    222  /*- SAPT Three-Body Dimer AC -*/
#define PSIF_3B_SAPT_DIMER_BC    223  /*- SAPT Three-Body Dimer BC -*/
#define PSIF_3B_SAPT_MONOMER_A   224  /*- SAPT Three-Body Mon A -*/
#define PSIF_3B_SAPT_MONOMER_B   225  /*- SAPT Three-Body Mon B -*/
#define PSIF_3B_SAPT_MONOMER_C   226  /*- SAPT Three-Body Mon C -*/
#define PSIF_3B_SAPT_AA_DF_INTS  227  /*-  -*/
#define PSIF_3B_SAPT_BB_DF_INTS  228  /*-  -*/
#define PSIF_3B_SAPT_CC_DF_INTS  229  /*-  -*/
#define PSIF_3B_SAPT_AMPS        230  /*-  -*/

#define PSIF_DCC_IJAK            250  /*- CEPA/CC (ij|ak) -*/
#define PSIF_DCC_IJAK2           251  /*- CEPA/CC (ij|ak) -*/
#define PSIF_DCC_ABCI            252  /*- CEPA/CC (ia|bc) -*/
#define PSIF_DCC_ABCI2           253  /*- CEPA/CC (ia|bc) -*/
#define PSIF_DCC_ABCI3           254  /*- CEPA/CC (ia|bc) -*/
#define PSIF_DCC_ABCI4           255  /*- CEPA/CC (ia|bc) -*/
#define PSIF_DCC_ABCI5           256  /*- CEPA/CC (ia|bc) -*/
#define PSIF_DCC_ABCD1           257  /*- CEPA/CC (ab|cd)+ -*/
#define PSIF_DCC_ABCD2           258  /*- CEPA/CC (ab|cd)- -*/
#define PSIF_DCC_IJAB            259  /*- CEPA/CC (ij|ab) -*/
#define PSIF_DCC_IAJB            260  /*- CEPA/CC (ia|jb) -*/
#define PSIF_DCC_IJKL            261  /*- CEPA/CC (ij|kl) -*/
#define PSIF_DCC_OVEC            262  /*- CEPA/CC old vectors for diis -*/
#define PSIF_DCC_EVEC            263  /*- CEPA/CC error vectors for diis -*/
#define PSIF_DCC_R2              264  /*- CEPA/CC residual -*/
#define PSIF_DCC_TEMP            265  /*- CEPA/CC temporary storage -*/
#define PSIF_DCC_T2              266  /*- CEPA/CC t2 amplitudes -*/
#define PSIF_DCC_QSO             267  /*- DFCC 3-index integrals -*/
#define PSIF_DCC_SORT_START      270  /*- CEPA/CC integral sort starting file number -*/

#define PSIF_SAPT_CCD            271  /*- SAPT2+ CCD Utility File -*/

#define PSIF_HESS                272  /*- Hessian Utility File -*/

#define PSIF_OCC_DPD             273  /*- OCC DPD -*/
#define PSIF_OCC_DENSITY         274  /*- OCC Density -*/
#define PSIF_OCC_IABC            275  /*- OCC out-of-core <IA|BC> -*/
#define PSIF_DFOCC_INTS          276  /*- DFOCC Integrals -*/
#define PSIF_DFOCC_AMPS          277  /*- DFOCC Amplitudes -*/
#define PSIF_DFOCC_DENS          278  /*- DFOCC PDMs -*/
#define PSIF_DFOCC_IABC          279  /*- DFOCC (IA|BC) -*/
#define PSIF_DFOCC_ABIC          280  /*- DFOCC <AB|IC> -*/
#define PSIF_DFOCC_MIABC         281  /*- DFOCC M_iabc -*/
#define PSIF_DFOCC_TEMP          282  /*- DFOCC temporary storage -*/
#define PSIF_DFOCC_IABC_AAAA     283  /*- DFOCC <IA||BC> -*/
#define PSIF_DFOCC_IJAB_AAAA     284  /*- DFOCC <IJ||AB> -*/
#define PSIF_DFOCC_IABC_BBBB     285  /*- DFOCC <ia||bc> -*/
#define PSIF_DFOCC_IJAB_BBBB     286  /*- DFOCC <ij||ab> -*/
#define PSIF_DFOCC_IABC_BABA     287  /*- DFOCC <iA|bC> -*/
#define PSIF_DFOCC_IABC_ABAB     288  /*- DFOCC <Ia|Bc> -*/
#define PSIF_DFOCC_IJAB_ABAB     289  /*- DFOCC <Ij|Ab> -*/
#define PSIF_DFOCC_MIABC_AAAA    290  /*- DFOCC M_IABC -*/
#define PSIF_DFOCC_MIABC_BBBB    291  /*- DFOCC M_iabc -*/
#define PSIF_DFOCC_MIABC_AABB    292  /*- DFOCC M_IAbc -*/
#define PSIF_DFOCC_MIABC_BBAA    293  /*- DFOCC M_iaBC -*/

#define PSIF_SAD                 300  /*- A SAD file (File for SAD related quantities -*/

// following four are not completely managed by PSIO and starting number resettable through CI_FILE_START option
#define PSIF_CI_HD_FILE          350  /*- DETCI H diagonal -*/
#define PSIF_CI_C_FILE           351  /*- DETCI CI coeffs -*/
#define PSIF_CI_S_FILE           352  /*- DETCI sigma coeffs -*/
#define PSIF_CI_D_FILE           353  /*- DETCI D correction vectors -*/

#define PSIF_DCT_DPD             400 /*- DCT DPD handle -*/
#define PSIF_DCT_DENSITY         401 /*- DCT density -*/

// All of these one-electron quantities have been moved into PSIF_OEI Most integrals are real Hermitian hence only lower
//  triangle of the matrix is written out
// These macros give libpsio TOC strings for easy identification.
#define PSIF_SO_S                "SO-basis Overlap Ints"
#define PSIF_SO_T                "SO-basis Kinetic Energy Ints"
#define PSIF_SO_V                "SO-basis Potential Energy Ints"
#define PSIF_SO_H                "SO-basis Core Hamiltonian"
#define PSIF_SO_ECP              "SO-basis ECP Ints"
#define PSIF_AO_S                "AO-basis Overlap Ints"
#define PSIF_AO_MX               "AO-basis Mu-X Ints"
#define PSIF_AO_MY               "AO-basis Mu-Y Ints"
#define PSIF_AO_MZ               "AO-basis Mu-Z Ints"
#define PSIF_MO_MX               "MO-basis Mu-X Ints"
#define PSIF_MO_MY               "MO-basis Mu-Y Ints"
#define PSIF_MO_MZ               "MO-basis Mu-Z Ints"
#define PSIF_AO_QXX              "AO-basis Q-XX Ints"        /* Electric quadrupole moment integrals */
#define PSIF_AO_QXY              "AO-basis Q-XY Ints"
#define PSIF_AO_QXZ              "AO-basis Q-XZ Ints"
#define PSIF_AO_QYY              "AO-basis Q-YY Ints"
#define PSIF_AO_QYZ              "AO-basis Q-YZ Ints"
#define PSIF_AO_QZZ              "AO-basis Q-ZZ Ints"
#define PSIF_AO_TXX              "AO-basis T-XX Ints"        /* Traceless electric quadrupole moment integrals */
#define PSIF_AO_TXY              "AO-basis T-XY Ints"        /* Traceless electric quadrupole moment integrals */
#define PSIF_AO_TXZ              "AO-basis T-XZ Ints"        /* Traceless electric quadrupole moment integrals */
#define PSIF_AO_TYY              "AO-basis T-YY Ints"        /* Traceless electric quadrupole moment integrals */
#define PSIF_AO_TYZ              "AO-basis T-YZ Ints"        /* Traceless electric quadrupole moment integrals */
#define PSIF_AO_TZZ              "AO-basis T-ZZ Ints"        /* Traceless electric quadrupole moment integrals */

// These integrals are anti-Hermitian -- upper triangle has sign opposite of that of the lower triangle
#define PSIF_AO_NablaX           "AO-basis Nabla-X Ints"     /* integrals of nabla operator */
#define PSIF_AO_NablaY           "AO-basis Nabla-Y Ints"
#define PSIF_AO_NablaZ           "AO-basis Nabla-Z Ints"

// These integrals are pure imaginary Hermitian. We write the full matrix of the imaginary part of these integrals out (i.e. multiply by i=sqrt(-1) to get the integrals)
#define PSIF_AO_LX               "AO-basis LX Ints"          /* integrals of angular momentum operator */
#define PSIF_AO_LY               "AO-basis LY Ints"
#define PSIF_AO_LZ               "AO-basis LZ Ints"
#define PSIF_AO_DSDB_X           "AO-basis dS/dBx Ints"      /* Overlap derivative integrals WRT B field */
#define PSIF_AO_DSDB_Y           "AO-basis dS/dBy Ints"
#define PSIF_AO_DSDB_Z           "AO-basis dS/dBz Ints"
#define PSIF_AO_DHDB_X           "AO-basis dh/dBx Ints"      /* One-electron derivative integrals WRT B field */
#define PSIF_AO_DHDB_Y           "AO-basis dh/dBy Ints"
#define PSIF_AO_DHDB_Z           "AO-basis dh/dBz Ints"
#define PSIF_AO_D2HDBDE_XX       "AO-basis d2h/dBxdEx Ints"  /* One-electron derivative integrals WRT E and B fields */
#define PSIF_AO_D2HDBDE_XY       "AO-basis d2h/dBxdEy Ints"
#define PSIF_AO_D2HDBDE_XZ       "AO-basis d2h/dBxdEz Ints"
#define PSIF_AO_D2HDBDE_YX       "AO-basis d2h/dBydEx Ints"
#define PSIF_AO_D2HDBDE_YY       "AO-basis d2h/dBydEy Ints"
#define PSIF_AO_D2HDBDE_YZ       "AO-basis d2h/dBydEz Ints"
#define PSIF_AO_D2HDBDE_ZX       "AO-basis d2h/dBzdEx Ints"
#define PSIF_AO_D2HDBDE_ZY       "AO-basis d2h/dBzdEy Ints"
#define PSIF_AO_D2HDBDE_ZZ       "AO-basis d2h/dBzdEz Ints"
#define PSIF_MO_DFDB_X           "AO-basis dF/dBx Ints"      /* Fock operator derivative integrals WRT B field */
#define PSIF_MO_DFDB_Y           "AO-basis dF/dBy Ints"
#define PSIF_MO_DFDB_Z           "AO-basis dF/dBz Ints"

#define PSIF_MO_FZC              "MO-basis Frozen-Core Operator"
#define PSIF_MO_A_FZC            "MO-basis Alpha Frozen-Core Oper"
#define PSIF_MO_B_FZC            "MO-basis Beta Frozen-Core Oper"

// More macros
#define PSIF_AO_OPDM_TRIANG      "AO-basis OPDM triang"
#define PSIF_AO_LAG_TRIANG       "AO-basis Lagrangian triang"
#define PSIF_AO_OPDM_SQUARE      "AO-basis OPDM square"
#define PSIF_SO_OPDM             "SO-basis OPDM"
#define PSIF_SO_OPDM_TRIANG      "SO-basis triang"

// PSI return codes --- for new PSI driver
#define PSI_RETURN_SUCCESS       0
#define PSI_RETURN_FAILURE       1
#define PSI_RETURN_ENDLOOP       2
#define PSI_RETURN_BALK          3

// Added by ACS (01/06) for the UMP2R12 routines
#define PSIF_MO_A_MX             "MO-basis Alpha Mu-X Ints"
#define PSIF_MO_A_MY             "MO-basis Alpha Mu-Y Ints"
#define PSIF_MO_A_MZ             "MO-basis Alpha Mu-Z Ints"
#define PSIF_MO_B_MX             "MO-basis Beta Mu-X Ints"
#define PSIF_MO_B_MY             "MO-basis Beta Mu-Y Ints"
#define PSIF_MO_B_MZ             "MO-basis Beta Mu-Z Ints"
#define PSIF_MO_A_QXX            "MO-basis Alpha Q-XX Ints"
#define PSIF_MO_A_QYY            "MO-basis Alpha Q-YY Ints"
#define PSIF_MO_A_QZZ            "MO-basis Alpha Q-ZZ Ints"
#define PSIF_MO_B_QXX            "MO-basis Beta Q-XX Ints"
#define PSIF_MO_B_QYY            "MO-basis Beta Q-YY Ints"
#define PSIF_MO_B_QZZ            "MO-basis Beta Q-ZZ Ints"
#define PSIF_AO_QRR              "AO-basis Q-XX + Q-YY + Q-ZZ Ints"
#define PSIF_MO_QRR              "MO-basis Q-XX + Q-YY + Q-ZZ Ints"
#define PSIF_MO_A_QRR            "MO-basis Alpha Q-XX + Q-YY + Q-ZZ Ints"
#define PSIF_MO_B_QRR            "MO-basis Beta Q-XX + Q-YY + Q-ZZ Ints"
// end ACS additions

// clang-format on
#endif /* header guard */
