Gromacs
2018.8
|
#include <gromacs/mdlib/mdrun.h>
Options and settings for continuing from checkpoint.
Public Member Functions | |
ContinuationOptions () | |
Constructor. | |
Public Attributes | |
bool | appendFiles |
True if we are continuing from a checkpoint and should append output files. | |
bool | appendFilesOptionSet |
True if the -append option was explicitly set by the user (either to true of false. | |
bool | startedFromCheckpoint |
True if we started from a checkpoint file. | |
bool | haveReadEkin |
True if we read the kinetic energy from checkpoint file. | |