read-params.h File Reference

#include "gromacs/fileio/readinp.h"
#include "gromacs/math/vectypes.h"

Description

Declares functions needed for reading, initializing and setting the AWH parameter data types.

Author

Viveca Lindahl

Functions
AwhParams *	gmx::readAndCheckAwhParams (int *ninp_p, t_inpfile **inp_p, const t_inputrec *inputrec, warninp_t wi)
	Allocate, initialize and check the AWH parameters with values from the input file. More...
void	gmx::setStateDependentAwhParams (AwhParams *awhParams, const pull_params_t *pull_params, pull_t *pull_work, const matrix box, int ePBC, const t_grpopts *inputrecGroupOptions, warninp_t wi)
	Sets AWH parameters that need state parameters such as the box vectors. More...