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Program to run the data driven Langevin equation as described in Schaudinnus et al., Phys. Rev. Lett. 115, 050602 (2015) or Rzepiela et al. J. Chem. Phys. 141, 241102 (2014). The basic publication is Hegger and Stock, J. Chem. Phys. 130, 034106 (2009) .
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README.md

README.md

Quick Start

  1. Download the files in source_main to some folder datadrivenlangevin
  2. Create inside datadrivenlangevin the subfolder bin
  3. Adjust the Makefile inside datadrivenlangevin and inside datadrivenlangevin/routines (was downloaded) as you need it
  4. Run make clean in the shell
  5. Run make install in the shell

After this you get variouse programs inside of datadrivenlangevin/bin. Important are:

  • ol-second_b1: generates a Langevin model trajectory based on the Markovian Langevin equation by estimating the Langevin field from some data set, see for example Schaudinnus et al., Phys. Rev. Lett. 115, 050602 (2015)

  • ol-second-tm_b1: generates a so-called "testmodel"-run which means that fields and noise which would have produced a given trajectory if it would have been produced based on the Markovian langevin equation are calculated.

  • ol-first_b1: does the same as ol-second_b1 but uses the OVERDAMPED Langevin equation as model, see Hegger and Stock, J. Chem. Phys. 130, 034106 (2009).

  • ol-second-tm_b1: the same as ol-second-tm_b1 but uses the OVERDAMPED Langevin equation as model.

Description of Source Folders

source_main contains the normally used c-code. Stick to it for the start.

source_b2_fieldestimation contains the code for an alternative estimation of the fields

source_b3_fieldestimation contains the code for another alternative estimation of the fields

FOR FURTHER INFOMATION PLEASE HAVE A LOOK AT THE READMES OF THE DIFFERENT source_... FOLDERS.

Licensing

This file is part of OLANGEVIN

Copyright (c) 2013 Rainer Hegger

OLANGEVIN is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.

OLANGEVIN 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 General Public License for more details.

You should have received a copy of the GNU General Public License along with OLANGEVIN; if not, see http://www.gnu.org/licenses/.

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