1 /* This file contains Doxygen documentation only, and no code at all. 2 It provides general information about the task module. 3 */ 4 5 /** 6 \defgroup task Task interface 7 \brief Interface to control the main tasks 8 9 In NWChem the overall work of a job is broken up into tasks. 10 In general, each task is defined by an energy expression and a quantity to 11 calculate with it. For example, `task scf optimize` calculates a minimum energy 12 molecular structure using the Hartree-Fock energy expression. 13 14 The routines in this module implement how tasks are actually accomplished. 15 I.e. the task in the above example is implemented in the function 16 `task_optimize`. 17 */ 18 /* $Id$ */ 19