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Next: 3.4 Global directives Up: 3 DEFINITION OF MOLPRO Previous: 3.2 Commands   Contents   Index   PDF


3.3 Directives

Directives serve to specify input data and special options for programs. They start with a keyword, followed by data and/or options. The general format is

DIRECTIVE,data,options

The format of data and options is specified in the subsequent sections. Data must always be given before any options.

Examples for directives are

OCC,CORE, CLOSED, WF, LOCAL, DFIT, ...



molpro@molpro.net 2017-12-13