include/tables.h

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  35
  36 #ifndef _tables_h
  37 #define _tables_h
  38
  39
  40 #ifdef __cplusplus
  41 extern "C" {
  42 #endif
  43 #if 0
  44 }
  45 #endif
  46
  47 void table_spline3_fill_ewald_lr(real *table_F,
  48                                  real *table_V,
  49                                  real *table_FDV0,
  50                                  int   ntab,
  51                                  real  dx,
  52                                  real  beta);
  53 /* Fill tables of ntab points with spacing dr with the ewald long-range
  54  * (mesh) force.
  55  * There are three separate tables with format FDV0, F, and V.
  56  * This function interpolates the Ewald mesh potential contribution
  57  * with coefficient beta using a quadratic spline.
  58  * The force can then be interpolated linearly.
  59  */
  60
  61 real ewald_spline3_table_scale(real ewaldcoeff,real rc);
  62 /* Return the scaling for the Ewald quadratic spline tables. */
  63
  64
  65 #ifdef __cplusplus
  66 }
  67 #endif
  68
  69 #endif  /* _tables\_h */