| 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. |
| 28 |
|
* arising out of the use of or inability to use software, even if the |
| 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] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
+ |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
|
| 43 |
|
#include <functional> |
| 44 |
+ |
#include "config.h" |
| 45 |
+ |
namespace OpenMD { |
| 46 |
|
|
| 44 |
– |
namespace oopse { |
| 45 |
– |
|
| 47 |
|
/** |
| 48 |
|
* copy_if is one of the missing functions in STL. |
| 49 |
|
* copy_if copies elements from the range [first, last) to the range [result, result + (last-first)), |
| 61 |
|
return result; |
| 62 |
|
} |
| 63 |
|
|
| 63 |
– |
|
| 64 |
– |
|
| 64 |
|
template<typename T> |
| 65 |
< |
struct logical_xor :public std::binary_function<T, T, bool> { |
| 66 |
< |
double operator()(T x, T y) { return x ^ y; } |
| 65 |
> |
struct logical_xor : public std::binary_function<T, T, bool> { |
| 66 |
> |
T operator()(const T& x, const T& y) { return x ^ y; } |
| 67 |
|
}; |
| 68 |
< |
|
| 68 |
> |
|
| 69 |
> |
template<typename T> |
| 70 |
> |
struct to_bool : public std::unary_function<T, bool> { |
| 71 |
> |
bool operator()(const T& x) const { |
| 72 |
> |
return x != 0; |
| 73 |
> |
} |
| 74 |
> |
}; |
| 75 |
|
} |
| 76 |
+ |
|
| 77 |
+ |
|
