| 20 |
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// |
| 21 |
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// Hoover, W. G., 1986, Phys. Rev. A, 34, 2499. |
| 22 |
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|
| 23 |
< |
NPTf::NPTf ( SimInfo *theInfo, ForceFields* the_ff): |
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< |
Integrator( theInfo, the_ff ) |
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> |
template<typename T> NPTf<T>::NPTf ( SimInfo *theInfo, ForceFields* the_ff): |
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> |
T( theInfo, the_ff ) |
| 25 |
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{ |
| 26 |
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int i, j; |
| 27 |
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chi = 0.0; |
| 36 |
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have_target_pressure = 0; |
| 37 |
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} |
| 38 |
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|
| 39 |
< |
void NPTf::moveA() { |
| 39 |
> |
template<typename T> void NPTf<T>::moveA() { |
| 40 |
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|
| 41 |
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int i, j, k; |
| 42 |
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DirectionalAtom* dAtom; |
| 228 |
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|
| 229 |
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} |
| 230 |
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|
| 231 |
< |
void NPTf::moveB( void ){ |
| 231 |
> |
template<typename T> void NPTf<T>::moveB( void ){ |
| 232 |
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|
| 233 |
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int i, j; |
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DirectionalAtom* dAtom; |
| 310 |
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} |
| 311 |
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} |
| 312 |
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|
| 313 |
< |
int NPTf::readyCheck() { |
| 313 |
> |
template<typename T> int NPTf<T>::readyCheck() { |
| 314 |
> |
|
| 315 |
> |
//check parent's readyCheck() first |
| 316 |
> |
if (T::readyCheck() == -1) |
| 317 |
> |
return -1; |
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|
| 319 |
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// First check to see if we have a target temperature. |
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// Not having one is fatal. |
