MolecularDynamics

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MolecularDynamics

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Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.

MolecularDynamics 최신버젼 다운로드

최종 버전 다운로드 (.zip)

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- Source code for Molecular Dynamics Program - can compile and run on Linux, Windows, and Mac OSX

- More information about this program, including detailed instructions for its use, can be found [here for instructions](https://pubs.acs.org/doi/suppl/10.1021/acs.jchemed.7b00747) and [here for discussion of its use in an undergraduate laboratory setting](https://pubs.acs.org/doi/pdf/10.1021/acs.jchemed.7b00747)

- This folder should containt the source code (MD.cpp) and a makefile which can be used to compile the source to a machine-executable file.

- A copy of the gnu public license (LICENSE.md) should be included.

- To compile this code using a gnu C/C++ compiler and create an executable called 'MD.exe' in a Linux/Unix environment, type
  
  `make`
  
- To run the program in a Linux/Unix environment, type
  
  `./MD.exe`

- The program will run interactively.  Follow the prompts to customize your simulation

*Note for Windows users on Cygwin installation:*  Our J. Chem. Ed. article suggests installing **all** Cygwin packages, which is quite large and time consuming.  Success with a much lighter installation has been reported 
by selecting the default package installation plus 3 additional packages under the "devel" sub-heading.
As accessed on 01/08/2020, these packages and version numbers are as follows:

- gcc-g++ (7.4.0-1) 
- git (2.21.0-1)
- make (4.2.1-2)

MolecularDynamics

MolecularDynamics 최신버젼 다운로드

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