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8.12 Global Print Options (GPRINT/NOGPRINT)
Global print options can be set using the GPRINT command outside
the individual programs (the first letter G is optional, but should be used to
avoid confusion with program specific PRINT cards). The syntax is
GPRINT,key1[=value1],key2[=value2],...
NOGPRINT,key1,key2,...
Normally, value can be omitted, but values may be used for debugging
purposes, giving more information in some cases. The default is no print for all
options, except for DISTANCE, ANGLES (default=0), and VARIABLE.
NOGPRINT,key is equivalent to PRINT,key=-1.
key can be one of the following:
- BASIS
- Print basis information
- DISTANCE
- Print bond distances (default)
- ANGLES
- Print bond angle information (default). If 0, dihedral angles are also printed.
- ORBITAL
- Print orbitals in SCF and MCSCF
- CIVECTOR
- Print CI vector in MCSCF
- PAIRS
- Print pair list in CI, CCSD
- CS
- Print information for singles in CI, CCSD
- CP
- Print information for pairs in CI, CCSD
- REF
- Print reference CSFs and their coefficients in CI
- PSPACE
- Print p-space configurations
- MICRO
- Print microiterations in MCSCF and CI
- CPU
- Print detailed CPU information
- IO
- Print detailed I/O information
- VARIABLE
- Print variables each time they are set or changed (default).
Next: 8.13 One-electron operators and
Up: 8 PROGRAM CONTROL
Previous: 8.11 Global Thresholds (GTHRESH)
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002