| # | 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 86 | Line 87 | typedef Integrator<BaseIntegrator> RealIntegrator; | |
| 87 | }; | |
| 88 | ||
| 89 | typedef Integrator<BaseIntegrator> RealIntegrator; | |
| 90 | + | |
| 91 | + | // ansi instantiation |
| 92 | + | template class Integrator<BaseIntegrator>; |
| 93 | ||
| 94 | template<typename T> class NVE : public T { | |
| 95 | ||
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