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libresponse.h
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27 lines (25 loc) · 822 Bytes
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/*!
* @mainpage libresponse and responseman
*
* libresponse is a library for solving linear response equations over
* arbitrary operators. responseman is a user-facing (input file)
* wrapper around libresponse for Q-Chem.
*
* For an example of how to use the library from within Q-Chem, see
* polman, which calculates the static polarizability, or magnetman,
* which calculates open-shell magnetic properties (electronic
* g-tensor, hyperfine tensors).
*
* Currently, documentation is missing in many places.
*
* @authors Eric Berquist 2016--present erb74 at pitt dot edu
* @authors Evgeny Epifanovsky 2016
*/
#include "configurable.h"
#include "operator_spec.h"
/*!
* Set default parameters for a solver.
*
* @param[out] &options option map
*/
void set_defaults(libresponse::configurable &options);