4 |
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#include "Integrator.hpp" |
5 |
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#include "Thermo.hpp" |
6 |
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#include "ReadWrite.hpp" |
7 |
+ |
#include "simError.h" |
8 |
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|
8 |
– |
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9 |
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extern "C"{ |
10 |
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11 |
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void v_constrain_a_( double &dt, int &n_atoms, double* mass, |
147 |
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StatWriter* e_out = new StatWriter( entry_plug ); |
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DumpWriter* dump_out = new DumpWriter( entry_plug ); |
149 |
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150 |
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strcpy( checkPointMsg, "Fast foward!" ); |
151 |
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MPIcheckPoint(); |
152 |
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153 |
+ |
strcpy( checkPointMsg, "Fast fowarding!" ); |
154 |
+ |
MPIcheckPoint(); |
155 |
+ |
|
156 |
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Atom** atoms = entry_plug->atoms; |
157 |
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DirectionalAtom* dAtom; |
158 |
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dt2 = 0.5 * dt; |