.. index:: pair: struct; CPMDCResult
.. _doxid-struct_c_p_m_d_c_result:

struct CPMDCResult
==================

.. toctree::
	:hidden:

Overview
~~~~~~~~

Result returned by energy / gradient / forces entry points. :ref:`More...<details-struct_c_p_m_d_c_result>`


.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	#include <cpmd_c_abi.h>
	
	struct CPMDCResult {
		// fields
	
		int :ref:`ok<doxid-struct_c_p_m_d_c_result_1a6626b49c21bdbc37bf27026edd8ff18e>`;
		double :ref:`energy_h<doxid-struct_c_p_m_d_c_result_1ad7d895d59a07a6877826506656894b2f>`;
		char :ref:`message<doxid-struct_c_p_m_d_c_result_1a89e6a7732a81d9d608bbfcbec53aaafc>`[512];
	};
.. _details-struct_c_p_m_d_c_result:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~

Result returned by energy / gradient / forces entry points.

Fields
------

.. index:: pair: variable; ok
.. _doxid-struct_c_p_m_d_c_result_1a6626b49c21bdbc37bf27026edd8ff18e:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	int ok

Non-zero when the calculation succeeds.

.. index:: pair: variable; energy_h
.. _doxid-struct_c_p_m_d_c_result_1ad7d895d59a07a6877826506656894b2f:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	double energy_h

Total energy in Hartree (CPMD native a.u. energy).

.. index:: pair: variable; message
.. _doxid-struct_c_p_m_d_c_result_1a89e6a7732a81d9d608bbfcbec53aaafc:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	char message[512]

Null-terminated status or error message.