# | Line 13 | Line 13 | |
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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: |
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