mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <mc.h>
Public Member Functions | |
virtual | ~AcceptTest () |
virtual bool | test (pele::Array< double > &trial_coords, double trial_energy, pele::Array< double > &old_coords, double old_energy, double temperature, MC *mc)=0 |
virtual mcpele::AcceptTest::~AcceptTest | ( | ) | [inline, virtual] |
virtual bool mcpele::AcceptTest::test | ( | pele::Array< double > & | trial_coords, |
double | trial_energy, | ||
pele::Array< double > & | old_coords, | ||
double | old_energy, | ||
double | temperature, | ||
MC * | mc | ||
) | [pure virtual] |
Implemented in mcpele::MetropolisTest, and mcpele::EnergyWindowTest.