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nosehooverchains.h File Reference
#include <queue>
#include "modularsimulatorinterfaces.h"
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Description

Declares classes related to Nose-Hoover chains for the modular simulator.

Author
Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

This header is only used within the modular simulator module

Classes

class  gmx::NoseHooverChainsData
 Class holding data used by the Nose-Hoover chains. More...
 
class  gmx::NoseHooverChainsElement
 Element propagating the Nose-Hoover chains. More...
 

Enumerations

enum  gmx::ScheduleOnInitStep { gmx::ScheduleOnInitStep::Yes, gmx::ScheduleOnInitStep::No, gmx::ScheduleOnInitStep::Count }
 Whether the element does schedule on the initial step. More...
 
enum  gmx::NhcUsage { gmx::NhcUsage::System, gmx::NhcUsage::Barostat, gmx::NhcUsage::Count }
 The usages of Nose-Hoover chains. More...