| # | Line 13 | Line 13 | |
|---|---|---|
| 13 | #include "Thermo.hpp" | |
| 14 | #include "ReadWrite.hpp" | |
| 15 | #include "ZConsWriter.hpp" | |
| 16 | + | #include "Restraints.hpp" |
| 17 | ||
| 18 | using namespace std; | |
| 19 | const double kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K | |
| # | Line 83 | Line 84 | template<typename T = BaseIntegrator> class Integrator | |
| 84 | StatWriter* statOut; | |
| 85 | DumpWriter* dumpOut; | |
| 86 | ||
| 87 | + | int i; // just an int |
| 88 | }; | |
| 89 | ||
| 90 | typedef Integrator<BaseIntegrator> RealIntegrator; | |
| 91 | ||
| 92 | + | // ansi instantiation |
| 93 | + | template class Integrator<BaseIntegrator>; |
| 94 | + | |
| 95 | template<typename T> class NVE : public T { | |
| 96 | ||
| 97 | public: | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |