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< |
#include <cmath> |
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> |
#include <math.h> |
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#include <iostream> |
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using namespace std; |
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#else |
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potential = potential_local; |
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#endif // is_mpi |
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#ifdef IS_MPI |
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/* |
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std::cerr << "node " << worldRank << ": after pot = " << potential << "\n"; |
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*/ |
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#endif |
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return potential; |
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} |
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av2 = 2.0 * kebar / atoms[vr]->getMass(); |
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vbar = sqrt( av2 ); |
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< |
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< |
// vbar = sqrt( 8.31451e-7 * temperature / atoms[vr]->getMass() ); |
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< |
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> |
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// picks random velocities from a gaussian distribution |
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// centered on vbar |
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