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7.1.1 Reserving a new
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7 Reading and writing
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7 Reading and writing
7.1 Subroutines for read/write operations
Subsections
7.1.1 Reserving a new dump record
7.1.2 Opening an existing dump record
7.1.3 Writing orbitals
7.1.4 Writing density matrices
7.1.5 Writing fock matrices
7.1.6 Writing orbital energies
7.1.7 Writing occupation numbers
7.1.8 Writing redundancy group numbers
7.1.9 Reading orbitals
7.1.10 Reading a density matrix
7.1.11 Reading a fock matrix
7.1.12 Reading orbital energies
7.1.13 Reading occupation numbers
7.1.14 Reading redundancy group numbers
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Jan 10, 2000