| 6 |
|
!! redistribute this software in source and binary code form, provided |
| 7 |
|
!! that the following conditions are met: |
| 8 |
|
!! |
| 9 |
< |
!! 1. Acknowledgement of the program authors must be made in any |
| 10 |
< |
!! publication of scientific results based in part on use of the |
| 11 |
< |
!! program. An acceptable form of acknowledgement is citation of |
| 12 |
< |
!! the article in which the program was described (Matthew |
| 13 |
< |
!! A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
| 14 |
< |
!! J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
| 15 |
< |
!! Parallel Simulation Engine for Molecular Dynamics," |
| 16 |
< |
!! J. Comput. Chem. 26, pp. 252-271 (2005)) |
| 17 |
< |
!! |
| 18 |
< |
!! 2. Redistributions of source code must retain the above copyright |
| 9 |
> |
!! 1. Redistributions of source code must retain the above copyright |
| 10 |
|
!! notice, this list of conditions and the following disclaimer. |
| 11 |
|
!! |
| 12 |
< |
!! 3. Redistributions in binary form must reproduce the above copyright |
| 12 |
> |
!! 2. Redistributions in binary form must reproduce the above copyright |
| 13 |
|
!! notice, this list of conditions and the following disclaimer in the |
| 14 |
|
!! documentation and/or other materials provided with the |
| 15 |
|
!! distribution. |
| 29 |
|
!! University of Notre Dame has been advised of the possibility of |
| 30 |
|
!! such damages. |
| 31 |
|
!! |
| 32 |
+ |
!! SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
| 33 |
+ |
!! research, please cite the appropriate papers when you publish your |
| 34 |
+ |
!! work. Good starting points are: |
| 35 |
+ |
!! |
| 36 |
+ |
!! [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
+ |
!! [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
+ |
!! [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 39 |
+ |
!! [4] Vardeman & Gezelter, in progress (2009). |
| 40 |
+ |
!! |
| 41 |
|
|
| 42 |
|
module status |
| 43 |
|
implicit none |
| 76 |
|
painCave%errMsg = "Location: " // trim(myRoutine) // newline // & |
| 77 |
|
tab // trim(myMessage) // newline // nullchar |
| 78 |
|
|
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< |
painCave%severity = OOPSE_INFO |
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> |
painCave%severity = OPENMD_INFO |
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|
painCave%isFatal = .false. |
| 81 |
|
|
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|
call c_simError(painCave) |
| 90 |
|
painCave%errMsg = "Location: " // trim(myRoutine) // newline // & |
| 91 |
|
tab // trim(myMessage) // newline // nullchar |
| 92 |
|
|
| 93 |
< |
painCave%severity = OOPSE_ERROR |
| 93 |
> |
painCave%severity = OPENMD_ERROR |
| 94 |
|
painCave%isFatal = .true. |
| 95 |
|
|
| 96 |
|
call c_simError(painCave) |
| 104 |
|
painCave%errMsg = "Location: " // trim(myRoutine) // newline // & |
| 105 |
|
tab // trim(myMessage) // newline // nullchar |
| 106 |
|
|
| 107 |
< |
painCave%severity = OOPSE_WARNING |
| 107 |
> |
painCave%severity = OPENMD_WARNING |
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|
painCave%isFatal = .false. |
| 109 |
|
|
| 110 |
|
call c_simError(painCave) |
