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Commit 1f07a41b authored by Giovanni Bussi's avatar Giovanni Bussi
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LogMFD/PD

@tetsuyamorishita I merged all your commits into a single one.

Notice that I reimplemented the Communicator function that you needed
(Max) together with a few others (Min and Prod).

See #422
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Copyright (c) 2015-2018
National Institute of Advanced Industrial Science and Technology (AIST), Japan.
This file contains module for LogMFD method proposed by Tetsuya Morishita(AIST).
then written by Mizuho information and Research Institute, Inc.
The LogMFD module is free software: you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
The LogMFD module is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with plumed. If not, see <http://www.gnu.org/licenses/>.
This diff is collapsed.
USE=core tools bias
# generic makefile
include ../maketools/make.module
default-off
......@@ -2808,5 +2808,34 @@ year = {2013},
doi = {10.1063/1.4818005}
}
@article{MorishitaLogMFD,
author = {Morishita, T. and Itoh, S. G. and Okumura, H. and Mikami, M.},
title = {Free-energy calculation via mean-force dynamics using a logarithmic energy landscape},
journal = {Physical Review E},
volume = {85},
pages = {066702},
year = {2012},
doi = {10.1103/PhysRevE.85.066702}
}
@article{MorishitaLogPD,
author = {Morishita, T. and Yonezawa, Y and Ito, A. M.},
title = {Free energy reconstruction from logarithmic mean-force dynamics using multiple nonequilibrium trajectories},
journal = {Journal of Chemical Theory and Computation},
volume = {13},
pages = {3106},
year = {2017},
doi = {10.1021/acs.jctc.7b00252}
}
@article{MorishitaVsLogMFD,
author = {Morishita, T. and Nakamura, T and Shinoda, W and Ito, A. M.},
title = {Isokinetic approach in logarithmic mean-force dynamics for on-the-fly free energy reconstruction},
journal = {Chemical Physics Letter},
volume = {706},
pages = {633},
year = {2018}
}
@Comment{jabref-meta: databaseType:bibtex;}
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