AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since 825d33 was caece4, checked in by Frederik Heber <heber@…>, 11 years ago |
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Enhanced documentation significantly.
- went through all of the constructs and updated each.
- enhanced documentation ofr Fragmentation::FragmentMolecule().
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-
Property mode
set to
100644
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File size:
1.1 KB
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| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /**
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| 9 | * \file fileformats.dox
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| 10 | *
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| 11 | * Created on: Oct 31, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | /**
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| 16 | * \page fileformats Known File Types
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| 17 | *
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| 18 | * The supported output formats right now are:
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| 19 | * -# mpqc: Configuration files of the Massively Parallel Quantum Chemistry package (Sandia labs)
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| 20 | * -# pcp: Configuration files of the Parallel Car-Parrinello program (Institute for Numerical Simulation)
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| 21 | * -# pdp: Configuration files of the Protein Data Base
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| 22 | * -# psi3: Configuration files of the Psi3 package
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| 23 | * -# tremolo: Configuration files of TREMOLO (Institute for Numerical Simulation)
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| 24 | * -# xyz: the most basic format for the 3d arrangement of atoms consisting of a list of element and 3 coordinates.
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| 25 | * -# xml: XML is the general format of the ScaFaCoS library containing particle
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| 26 | * positions and charges for long-range calculations.
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| 27 | *
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| 28 | *
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| 29 | * \date 2014-03-10
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| 30 | *
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| 31 | */
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