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323 changes: 323 additions & 0 deletions doc/doxygen/bibliography.bib
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@Article{usta05a,
title = {{Lattice-Boltzmann simulations of the dynamics of polymer solutions in periodic and confined geometries}},
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@InCollection{duenweg09a,
title = {{Lattice Boltzmann simulations of soft matter systems}},
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booktitle = {{Advanced Computer Simulation Approaches for Soft Matter Sciences III}},
publisher = {Springer-Verlag Berlin},
year = {2009},
address = {Berlin, Germany},
pages = {89--166},
series = {Advances in Polymer Science},
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issn = {0065-3195},
}
@Article{arnold13c,
title = {{Efficient algorithms for electrostatic interactions including dielectric contrasts}},
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}
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title = {{A smooth Particle Mesh Ewald method}},
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@Article{tyagi10a,
author = {Tyagi, Sandeep and S\"{u}zen, Mehmet and Sega, Marcello and Barbosa, Marcia C. and Kantorovich, Sofia S. and Holm, Christian},
title = {{An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries}},
journal = {The Journal of Chemical Physics},
year = {2010},
volume = {132},
pages = {154112},
doi = {10.1063/1.3376011},
}
@Article{arnold02a,
author = {Arnold, Axel and Holm, Christian},
title = {{{MMM2D}: A fast and accurate summation method for electrostatic interactions in {2D} slab geometries}},
journal = {Computer Physics Communications},
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}
@article{marsili10a,
author = {Marsili, Simone and Signorini, Giorgio Federico and Chelli, Riccardo and Marchi, Massimo and Procacci, Piero},
title = {{{ORAC}: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level}},
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title = {{Rattle: A "velocity" version of the shake algorithm for molecular dynamics calculations}},
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title = {{Discrete lattice effects on the forcing term in the lattice Boltzmann method}},
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}
@incollection{burtscher11a,
author = {Burtscher, Martin and Pingali, Keshav},
chapter = {6},
title = {{An efficient CUDA implementation of the tree-based Barnes Hut n-body algorithm}},
editor = {Hwu, Wen-mei W.},
booktitle = {{GPU Computing Gems Emerald Edition}},
publisher = {Morgan Kaufmann},
address = {Boston},
pages = {75-92},
year = {2011},
series = {Applications of GPU Computing Series},
isbn = {978-0-12-384988-5},
doi = {10.1016/B978-0-12-384988-5.00006-1},
}
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title = {{Lattice-Boltzmann simulations of particle-fluid suspensions}},
author = {Ladd, A. J. C. and Verberg, R.},
journal = {Journal of Statistical Physics},
year = {2001},
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}
@article{dupin08a,
author = {Dupin, M. M. and Halliday, I. and Care, C. M. and Munn, L. L.},
title = {{Lattice Boltzmann modelling of blood cell dynamics}},
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volume = {22},
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pages = {481-492},
year = {2008},
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}
@inproceedings{zhang01b,
author={Zhang, Cha and Chen, Tsuhan},
booktitle={{Proceedings 2001 International Conference on Image Processing (Cat. No.01CH37205)}},
title={{Efficient feature extraction for {2D/3D} objects in mesh representation}},
year={2001},
volume={3},
pages={935-938},
doi={10.1109/ICIP.2001.958278},
}
@book{kruger12a,
author={Kr\"{u}ger, Timm},
title={{Computer simulation study of collective phenomena in dense suspensions of red blood cells under shear}},
year={2012},
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doi={10.1007/978-3-8348-2376-2},
}
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@Article{cerda08d,
author = {Cerd\`{a}, Juan J. and Ballenegger, Vincent and Lenz, Olaf and Holm, Christian},
title = {{{P3M} algorithm for dipolar interactions}},
journal = {Journal of Chemical Physics},
year = {2008},
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@PhdThesis{deserno00b,
author = {Deserno, Markus},
title = {Counterion condensation for rigid linear polyelectrolytes},
year = {2000},
month = FEB,
url = {http://archimed.uni-mainz.de/pub/2000/0018},
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@Article{ewald21a,
title = {{Die Berechnung optischer und elektrostatischer Gitterpotentiale}},
author = {Ewald, P. P.},
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title = {{Computer simulation using particles}},
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@Article{deserno98a,
author = {Deserno, Markus and Holm, Christian},
title = {{How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines}},
journal = {Journal of Chemical Physics},
year = {1998},
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@Article{deserno98b,
author = {Deserno, Markus and Holm, Christian},
title = {{How to mesh up Ewald sums. II. An accurate error estimate for the Particle-Particle-Particle-Mesh algorithm}},
journal = {Journal of Chemical Physics},
year = {1998},
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}
@InProceedings{deserno00e,
author = {Deserno, Markus and Holm, Christian and Limbach, Hans J\"{o}rg},
title = {{How to mesh up Ewald sums}},
booktitle = {{Molecular Dynamics on Parallel Computers}},
year = {2000},
editor = {Esser, R. and Grassberger, P. and Grotendorst, J. and Lewerenz, M.},
pages = {319},
doi = {10.1142/9789812793768_0023},
address = {Singapore},
}
4 changes: 1 addition & 3 deletions src/core/actor/DipolarBarnesHut_cuda.cu
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Expand Up @@ -18,9 +18,7 @@
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*/
/** @file
* The method concept is revealed within: M. Burtscher, K. Pingali, in: GPU
* Gems’11: GPU Computing Gems Emerald Edition, 2011. An Efficient CUDA
* Implementation of the Tree-Based Barnes Hut n-Body Algorithm
* The method concept is revealed within @cite burtscher11a
*/

#include "cuda_wrapper.hpp"
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3 changes: 1 addition & 2 deletions src/core/dpd.hpp
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Expand Up @@ -21,8 +21,7 @@
#ifndef CORE_DPD_HPP
#define CORE_DPD_HPP
/** \file
* Routines to use dpd as thermostat or pair force
* T. Soddemann, B. Duenweg and K. Kremer, Phys. Rev. E 68, 046702 (2003)
* Routines to use dpd as thermostat or pair force @cite soddemann03a
*
* Implementation in @ref dpd.cpp.
*/
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5 changes: 1 addition & 4 deletions src/core/electrostatics_magnetostatics/icc.hpp
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Expand Up @@ -28,10 +28,7 @@
* density of the surface segments have to be determined
* self-consistently using an iterative scheme. It can at presently -
* despite its name - be used with P3M, ELCP3M, MMM2D and MMM1D. For
* details see: S. Tyagi, M. Suzen, M. Sega, M. Barbosa, S. S. Kantorovich,
* C. Holm: An iterative, fast, linear-scaling method for computing induced
* charges on arbitrary dielectric boundaries, J. Chem. Phys. 2010, 132,
* p. 154112, doi:10.1063/1.3376011
* details see: @cite tyagi10a
*
* To set up ICCP3M, first the dielectric boundary has to be modelled
* by espresso particles 0..n where n has to be passed as a parameter
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10 changes: 4 additions & 6 deletions src/core/electrostatics_magnetostatics/mdlc_correction.cpp
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Expand Up @@ -92,8 +92,7 @@ double slab_dip_count_mu(double *mt, double *mx, double *my,
}

/** Compute the dipolar DLC corrections for forces and torques.
* Algorithm implemented accordingly to the paper of A. Brodka, Chem. Phys.
* Lett. 400, 62-67, (2004).
* Algorithm implemented accordingly to @cite brodka04a.
*/
double get_DLC_dipolar(int kcut, std::vector<Utils::Vector3d> &fs,
std::vector<Utils::Vector3d> &ts,
Expand Down Expand Up @@ -252,8 +251,7 @@ double get_DLC_dipolar(int kcut, std::vector<Utils::Vector3d> &fs,
}

/** Compute the dipolar DLC corrections
* Algorithm implemented accordingly to the paper of A. Brodka, Chem. Phys.
* Lett. 400, 62-67, (2004).
* Algorithm implemented accordingly to @cite brodka04a.
*/
double get_DLC_energy_dipolar(int kcut, const ParticleRange &particles) {

Expand Down Expand Up @@ -359,7 +357,7 @@ void add_mdlc_force_corrections(const ParticleRange &particles) {
// summation instead of slab-wise summation.
// Slab-wise summation is the one required to apply DLC correction.
// This correction is often called SDC = Shape Dependent Correction.
// See Brodka, Chem. Phys. Lett. 400, 62, (2004).
// See @cite brodka04a.

mz = slab_dip_count_mu(&mtot, &mx, &my, particles);

Expand Down Expand Up @@ -419,7 +417,7 @@ double add_mdlc_energy_corrections(const ParticleRange &particles) {
// summation instead of slab-wise summation.
// Slab-wise summation is the one required to apply DLC correction.
// This correction is often called SDC = Shape Dependent Correction.
// See Brodka, Chem. Phys. Lett. 400, 62, (2004).
// See @cite brodka04a.

mz = slab_dip_count_mu(&mtot, &mx, &my, particles);

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