# | Line 4 | Line 4 | |
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4 | #include "Integrator.hpp" | |
5 | #include "Thermo.hpp" | |
6 | #include "ReadWrite.hpp" | |
7 | + | #include "simError.h" |
8 | ||
8 | – | |
9 | extern "C"{ | |
10 | ||
11 | void v_constrain_a_( double &dt, int &n_atoms, double* mass, | |
# | Line 147 | Line 147 | void Symplectic::integrate( void ){ | |
147 | StatWriter* e_out = new StatWriter( entry_plug ); | |
148 | DumpWriter* dump_out = new DumpWriter( entry_plug ); | |
149 | ||
150 | – | |
150 | Atom** atoms = entry_plug->atoms; | |
151 | DirectionalAtom* dAtom; | |
152 | dt2 = 0.5 * dt; |
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