C++ (Cpp) MMM1D_sanity_checksの例

コード例 #1

ファイル: interaction_data.cpp プロジェクト: AlexanderWeyman/espresso

int interactions_sanity_checks()
{
  /* set to zero if initialization was not successful. */
  int state = 1;

#ifdef ELECTROSTATICS
  switch (coulomb.method) {
  case COULOMB_MMM1D: if (MMM1D_sanity_checks()) state = 0; break;
  case COULOMB_MMM2D: if (MMM2D_sanity_checks()) state = 0; break;
#ifdef P3M
  case COULOMB_ELC_P3M: if (ELC_sanity_checks()) state = 0; // fall through
  case COULOMB_P3M_GPU:
  case COULOMB_P3M: if (p3m_sanity_checks()) state = 0; break;
#endif
  default: break;
  }
#endif /* ifdef ELECTROSTATICS */

#ifdef DIPOLES
  switch (coulomb.Dmethod) {
#ifdef DP3M
  case DIPOLAR_MDLC_P3M: if (mdlc_sanity_checks()) state = 0; // fall through
  case DIPOLAR_P3M: if (dp3m_sanity_checks()) state = 0; break;
#endif
  case DIPOLAR_MDLC_DS: if (mdlc_sanity_checks()) state = 0; // fall through
  case DIPOLAR_DS: if (magnetic_dipolar_direct_sum_sanity_checks()) state = 0; break;
  default:
      break;
  }
#endif /* ifdef  DIPOLES */

  return state;
}

コード例 #2

ファイル: mmm1d.c プロジェクト: rafaelbordin/espresso

void MMM1D_init()
{
  if (MMM1D_sanity_checks()) return;

  if (mmm1d_params.far_switch_radius_2 >= SQR(box_l[2]))
    mmm1d_params.far_switch_radius_2 = 0.8*SQR(box_l[2]);

  MMM1D_setup_constants();

  if (mmm1d_params.bessel_calculated) {
    mmm1d_params.bessel_cutoff = determine_bessel_cutoff(sqrt(mmm1d_params.far_switch_radius_2), mmm1d_params.maxPWerror, MAXIMAL_B_CUT);
  }
  MMM1D_recalcTables();
}

コード例 #3

ファイル: mmm1d.cpp プロジェクト: gizeminci/THREE-PARTICLE-BINDING-INCI2014

void MMM1D_init()
{
  if (MMM1D_sanity_checks()) return;

  if (mmm1d_params.far_switch_radius_2 >= SQR(box_l[2]))
    mmm1d_params.far_switch_radius_2 = 0.8*SQR(box_l[2]);

  uz  = 1/box_l[2];
  L2  = box_l[2]*box_l[2];
  uz2 = uz*uz;
  prefuz2 = coulomb.prefactor*uz2;
  prefL3_i = prefuz2*uz;

  determine_bessel_radii(mmm1d_params.maxPWerror, MAXIMAL_B_CUT);
  prepare_polygamma_series(mmm1d_params.maxPWerror, mmm1d_params.far_switch_radius_2);
}