Gromacs
2024.4
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#include <gromacs/mdrun/simulatorbuilder.h>
Collection of environmental information for a simulation.
Public Member Functions | |
SimulatorEnv (FILE *fplog, t_commrec *commRec, gmx_multisim_t *multisimCommRec, const MDLogger &logger, gmx_output_env_t *outputEnv, ObservablesReducerBuilder *observablesReducerBuilder) | |
Build from current simulation environment. | |
Public Attributes | |
FILE * | fplog_ |
Handle to log file. | |
t_commrec * | commRec_ |
Handle to communication record. | |
const gmx_multisim_t * | multisimCommRec_ |
Handle to multisim communication record. | |
const MDLogger & | logger_ |
Handle to propper logging framework. | |
const gmx_output_env_t * | outputEnv_ |
Handle to file output handling. | |
ObservablesReducerBuilder * | observablesReducerBuilder_ |
Builder for coordinator of reduction for observables. | |