Gromacs
2018.8
|
Files | |
file | awh-correlation-history.h |
Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed. | |
file | awh-history.h |
Contains datatypes and function declarations needed by AWH to have its data checkpointed. | |
file | awh-params.h |
Declares AWH parameter data types. | |
file | commrec.h |
file | df_history.cpp |
file | df_history.h |
file | edsamhistory.h |
file | energyhistory.h |
This file contains datatypes for energy statistics history. | |
file | fcdata.h |
file | forceoutput.h |
This file contains the definition of a container for force and virial output. | |
file | forcerec.h |
file | group.h |
file | iforceprovider.cpp |
Implements classes from iforceprovider.h. | |
file | iforceprovider.h |
Declares gmx::IForceProvider and ForceProviders. | |
file | imdmodule.h |
Declares gmx::IMDModule. | |
file | imdoutputprovider.h |
Declares gmx::IMDOutputProvider. | |
file | imdpoptionprovider.h |
Declares gmx::IMdpOptionProvider. | |
file | inputrec.cpp |
file | inputrec.h |
file | interaction_const.h |
file | md_enums.cpp |
file | md_enums.h |
Declares enumerated types used throughout the code. | |
file | mdatom.h |
file | nblist.h |
file | observableshistory.cpp |
file | observableshistory.h |
This file contains the definition of a container for history data for simulation observables. | |
file | pull-params.h |
This file contains datatypes for the mdp options used by the pull code. | |
file | state.cpp |
file | state.h |
This file contains the definition of the microstate of the simulated system. | |
file | swaphistory.h |