#include <force.h>
Public Attributes | |
double | pe |
double | bond |
double | angle |
double | dihed |
double | impr |
double | elec |
double | vdw |
double | bound |
User-supplied container class that returns potential energies from force_compute()
routine. It is convenient to separate the energy data from the force results. Each respective value is meaningful only if the ForceParam_tag::flags
has indicated that potential be evaluated.
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Potential energy from angle bonds. |
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Potential energy from spring bonds. |
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Potential energy from boundary restraints. |
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Potential energy from dihedrals. |
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Potential energy from electrostatics. |
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Potential energy from impropers. |
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Total potential energy, sum of indicated potentials. |
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Potential energy from van der Waals. |