Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ParseParticles_split_forward_backward_Actions
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Last change
on this file since ee19b7 was 750cff, checked in by Frederik Heber <heber@…>, 14 years ago |
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HUGE: Update on documenation.
- a general skeleton of the documentation is now in place with all the major
components of MoleCuilder explained to some extent.
- some information has been transfered from TRAC (e.g. install procecure) into
this doxygen documentation where it is general and not specific to the
situation at our institute.
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Property mode
set to
100644
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File size:
836 bytes
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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 linearalgebra.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 linearalgebra Linear Algebra submodule
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| 17 | *
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| 18 | * The Linear Algebra submodule wraps GSL functionality into C++ classes. It
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| 19 | * has its own documentation residing in the subfolder \b LinearAlgebra.
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| 20 | *
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| 21 | * Most important are the Vector and Matrix classes including operators to
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| 22 | * allow for easy algebra, e.g.
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| 23 | * \code
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| 24 | * Vector test(1,1,1);
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| 25 | * Matrix m(3,3);
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| 26 | * m.setIdentity();
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| 27 | * std::cout << "Vector " << test << " times the identity is " << test*m M << std::endl;
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| 28 | * \endcode
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| 29 | *
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| 30 | *
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| 31 | * \date 2011-10-31
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| 32 | *
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| 33 | */
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