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!! redistribute this software in source and binary code form, provided |
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!! that the following conditions are met: |
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|
!! |
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!! 1. Acknowledgement of the program authors must be made in any |
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!! publication of scientific results based in part on use of the |
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< |
!! program. An acceptable form of acknowledgement is citation of |
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!! the article in which the program was described (Matthew |
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!! A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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< |
!! J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
| 15 |
< |
!! Parallel Simulation Engine for Molecular Dynamics," |
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!! J. Comput. Chem. 26, pp. 252-271 (2005)) |
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< |
!! |
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< |
!! 2. Redistributions of source code must retain the above copyright |
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> |
!! 1. Redistributions of source code must retain the above copyright |
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|
!! notice, this list of conditions and the following disclaimer. |
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|
!! |
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< |
!! 3. Redistributions in binary form must reproduce the above copyright |
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> |
!! 2. Redistributions in binary form must reproduce the above copyright |
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|
!! notice, this list of conditions and the following disclaimer in the |
| 14 |
|
!! documentation and/or other materials provided with the |
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!! distribution. |
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!! University of Notre Dame has been advised of the possibility of |
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!! such damages. |
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!! |
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+ |
!! SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
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!! research, please cite the appropriate papers when you publish your |
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!! work. Good starting points are: |
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+ |
!! |
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!! [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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+ |
!! [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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+ |
!! [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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!! [4] Vardeman & Gezelter, in progress (2009). |
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!! |
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|
|
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!! Machine and compiler dependent definitions |
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|
!! Charles F. Vardeman II 2/26/02 |
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!! Various precision parameters |
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|
|
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INTEGER, PARAMETER :: SP = selected_real_kind(4) |
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+ |
#ifdef SINGLE_PRECISION |
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+ |
INTEGER, PARAMETER :: DP = selected_real_kind(4) |
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#else |
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INTEGER, PARAMETER :: DP = selected_real_kind(8) |
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#endif |
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|
|
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– |
|
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!! Maximum number of fortran streams... |
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INTEGER, PARAMETER :: MAX_UNITS = 100 |
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|
|
