36.2 Loading matrices (LOAD)

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36.2 Loading matrices (`LOAD`)

All matrices which are needed in any of the subsequent commands must first be loaded into memory using the LOAD command. Depending on the matrix type, the LOAD command has slightly different options. In all forms of LOAD name is an arbitrary string (up to 16 characters long) by which the loaded matrix is denoted in subsequent commands.

Subsections

36.2.1 Loading orbitals
36.2.2 Loading density matrices
36.2.3 Loading the AO overlap matrix S
36.2.4 Loading ${\bf S}^{-1/2}$
36.2.5 Loading the one-electron hamiltonian
36.2.6 Loading the kinetic or potential energy operators
36.2.7 Loading one-electron property operators
36.2.8 Loading matrices from plain records

P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002