--- trunk/OOPSE-3.0/src/brains/fSimulation.h 2004/09/24 04:16:43 1490 +++ trunk/OOPSE-3.0/src/brains/fSimulation.h 2004/10/22 21:21:02 1634 @@ -9,13 +9,17 @@ typedef struct{ typedef struct{ double dielect; int SIM_uses_PBC; - int SIM_uses_LJ; - int SIM_uses_sticky; - int SIM_uses_charges; - int SIM_uses_dipoles; - int SIM_uses_RF; - int SIM_uses_GB; + int SIM_uses_DirectionalAtoms; + int SIM_uses_LennardJones; + int SIM_uses_Electrostatics; + int SIM_uses_Charges; + int SIM_uses_Dipoles; + int SIM_uses_Sticky; + int SIM_uses_GayBerne; int SIM_uses_EAM; + int SIM_uses_Shapes; + int SIM_uses_FLARB; + int SIM_uses_RF; } simtype; #endif //__FSIMULATION #endif //__C @@ -29,12 +33,16 @@ type, public :: simtype real ( kind = dp ) :: dielect = 0.0_dp !! Periodic Boundry Conditions logical :: SIM_uses_PBC - logical :: SIM_uses_LJ - logical :: SIM_uses_sticky - logical :: SIM_uses_charges - logical :: SIM_uses_dipoles - logical :: SIM_uses_RF - logical :: SIM_uses_GB + logical :: SIM_uses_DirectionalAtoms + logical :: SIM_uses_LennardJones + logical :: SIM_uses_Electrostatics + logical :: SIM_uses_Charges + logical :: SIM_uses_Dipoles + logical :: SIM_uses_Sticky + logical :: SIM_uses_GayBerne logical :: SIM_uses_EAM + logical :: SIM_uses_Shapes + logical :: SIM_uses_FLARB + logical :: SIM_uses_RF end type simtype #endif