src/kernel/membed.h

   1 /*
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  34
  35 #ifndef _gmx_membed_h
  36 #define _gmx_membed_h
  37
  38 #include "typedefs.h"
  39 #include "types/membedt.h"
  40
  41 #ifdef __cplusplus
  42 extern "C" {
  43 #endif
  44
  45 /* initialisation of membed code */
  46 gmx_membed_t init_membed(FILE *fplog, int nfile, const t_filenm fnm[], gmx_mtop_t *mtop,
  47                          t_inputrec *inputrec, t_state *state, t_commrec *cr, real *cpt);
  48
  49 /* rescaling the coordinates voor de membed code */
  50 void rescale_membed(int step_rel, gmx_membed_t membed, rvec *x);
  51
  52 #ifdef __cplusplus
  53 }
  54 #endif
  55
  56 #endif