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/* Struct for PSIF_CHKPT molecular orbital information */
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int nmo; /* number of molecular orbitals */
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int nso; /* number of basis functions (symmetry orbitals) */
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int nao; /* number of AO basis functions (nbfao) */
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int nirreps; /* number of irreducible reps */
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int iopen; /* 1=open shell, 0=closed shell */
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int fzc_op_size; /* size of frozen core operator */
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int nfzc; /* number of frozen core orbitals, total */
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int nfzv; /* number of frozen virtual orbitals, total */
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int ndocc; /* number of doubly occupied orbitals, total */
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int nsocc; /* number of singly occupied orbitals, total */
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int *sopi; /* number of basis functions (SOs) per irrep */
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int *orbspi; /* number of molecular orbitals per irrep */
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int *clsdpi; /* number of closed-shell orbitals per irrep */
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int *openpi; /* number of open-shell orbitals per irrep */
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int *virtpi; /* number of virtual orbitals per irrep */
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int *sosym; /* array giving irrep for each SO */
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int *orbsym; /* array giving irrep for each MO */
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int *order; /* reordering array */
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int *corr2pitz_nofzv; /* correlated->Pitzer order, excluding fzv's */
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int *corr2pitz; /* same as above but includes fzv's */
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int *fruocc; /* num of frozen virts per irrep */
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int *frdocc; /* num of frozen core per irrep */
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int *active; /* num of active orbitals per irrep */
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int *first; /* first orbital (pitzer address) per irrep */
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int *last; /* last orbital per irrep */
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int *first_so; /* first basis function (SO) per irrep */
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int *last_so; /* last basis function (SO) per irrep */
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int *fstact; /* first active orbital per irrep */
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int *lstact; /* last active orbital per irrep */
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char **labels; /* labels of the irreps */
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double ***evects; /* SCF eigenvector matrix for each irrep */
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double *fzc_operator; /* AO frozen core operator (lwr triangle) */
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int **ras_opi; /* orbs per ras space per irrep */
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int nmo; /* number of molecular orbitals */
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int nso; /* number of basis functions (symmetry orbitals) */
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int nao; /* number of AO basis functions (nbfao) */
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int nirreps; /* number of irreducible reps */
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int iopen; /* 1=open shell, 0=closed shell */
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int fzc_op_size; /* size of frozen core operator */
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int nfzc; /* number of frozen core orbitals, total */
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int nfzv; /* number of frozen virtual orbitals, total */
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int ndocc; /* number of doubly occupied orbitals, total */
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int nsocc; /* number of singly occupied orbitals, total */
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int *sopi; /* number of basis functions (SOs) per irrep */
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int *orbspi; /* number of molecular orbitals per irrep */
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int *clsdpi; /* number of closed-shell orbitals per irrep */
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int *openpi; /* number of open-shell orbitals per irrep */
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int *virtpi; /* number of virtual orbitals per irrep */
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int *sosym; /* array giving irrep for each SO */
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int *orbsym; /* array giving irrep for each MO */
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int *order; /* reordering array */
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int *corr2pitz_nofzv; /* correlated->Pitzer order, excluding fzv's */
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int *corr2pitz; /* same as above but includes fzv's */
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int *fruocc; /* num of frozen virts per irrep */
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int *frdocc; /* num of frozen core per irrep */
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int *rstrdocc; /* num of restricted occupied per irrep */
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int *rstruocc; /* num of restricted unoccupied per irrep */
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int *active; /* num of active orbitals per irrep */
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int *first; /* first orbital (pitzer address) per irrep */
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int *last; /* last orbital per irrep */
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int *first_so; /* first basis function (SO) per irrep */
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int *last_so; /* last basis function (SO) per irrep */
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int *fstact; /* first active orbital per irrep */
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int *lstact; /* last active orbital per irrep */
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char **labels; /* labels of the irreps */
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double ***evects; /* SCF eigenvector matrix for each irrep */
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double *fzc_operator; /* AO frozen core operator (lwr triangle) */
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int **ras_opi; /* orbs per ras space per irrep */
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src/bin/mvo/MOInfo.h
