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tsoc
openmm
Commits
012f6eb4
Commit
012f6eb4
authored
Jan 22, 2020
by
Andy Simmonett
Browse files
Update drudeintegrator.h comments
parent
c1df0025
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plugins/drude/openmmapi/include/openmm/DrudeIntegrator.h
plugins/drude/openmmapi/include/openmm/DrudeIntegrator.h
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plugins/drude/openmmapi/include/openmm/DrudeIntegrator.h
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012f6eb4
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@@ -39,12 +39,7 @@
namespace
OpenMM
{
/**
* This is a leap-frog Verlet Integrator that simulates systems with Drude particles. It uses the
* self-consistent field (SCF) method: at every time step, the positions of Drude particles are
* adjusted to minimize the potential energy.
*
* This Integrator requires the System to include a DrudeForce, which it uses to identify the Drude
* particles.
* A base class to encapsulate features common to Drude integrators.
*/
class
OPENMM_EXPORT_DRUDE
DrudeIntegrator
:
public
Integrator
{
...
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