--- trunk/OOPSE/libmdtools/atype_module.F90	2004/01/05 21:00:05	894
+++ trunk/OOPSE/libmdtools/atype_module.F90	2004/01/13 23:01:43	941
@@ -11,20 +11,16 @@ module atype_module
   
   public :: new_atype
   
-  integer, public, parameter :: LJ_PROPERTY_MASK = 1
-  integer, public, parameter :: DP_PROPERTY_MASK = 2
-  integer, public, parameter :: STICKY_PROPERTY_MASK = 4
-  integer, public, parameter :: GB_PROPERTY_MASK = 8
-  integer, public, parameter :: EAM_PROPERTY_MASK = 16
-
 contains
   
-  subroutine new_atype(c_ident, is_LJ, is_Sticky, is_DP, is_GB, is_EAM,&
-       lj_epsilon, lj_sigma, dipole_moment, status)
+  subroutine new_atype(c_ident, is_LJ, is_Sticky, is_DP, is_GB, &
+       is_EAM, is_Charge, lj_epsilon, lj_sigma, charge, dipole_moment, &
+       status)
     
     real( kind = dp ), intent(in) :: lj_epsilon
     real( kind = dp ), intent(in) :: lj_sigma
     real( kind = dp ), intent(in) :: dipole_moment
+    real( kind = dp ), intent(in) :: charge
 
     integer, intent(in)  :: c_ident
     integer, intent(out) :: status
@@ -33,10 +29,10 @@ contains
     integer, intent(in)  :: is_GB
     integer, intent(in)  :: is_EAM
     integer, intent(in)  :: is_LJ
+    integer, intent(in)  :: is_Charge
     integer :: me
     logical :: l_is_LJ, l_is_DP, l_is_Sticky, l_is_GB
-    logical :: l_is_EAM
-    integer :: propertyPack
+    logical :: l_is_EAM, l_is_Charge
     integer :: FFcheckStatus
     status = 0
 
@@ -58,22 +54,15 @@ contains
     l_is_Sticky = (is_Sticky .ne. 0)
     l_is_GB = (is_GB .ne. 0)
     l_is_EAM = (is_EAM .ne. 0)
+    l_is_Charge = (is_Charge .ne. 0)
 
     call setElementProperty(atypes, me, "is_LJ", l_is_LJ)
     call setElementProperty(atypes, me, "is_DP", l_is_DP)
     call setElementProperty(atypes, me, "is_Sticky", l_is_Sticky)
     call setElementProperty(atypes, me, "is_GB", l_is_GB)
     call setElementProperty(atypes, me, "is_EAM", l_is_EAM)
+    call setElementProperty(atypes, me, "is_Charge", l_is_Charge)
 
-    propertyPack = 0
-    if (l_is_LJ)     propertyPack = propertyPack + LJ_PROPERTY_MASK
-    if (l_is_DP)     propertyPack = propertyPack + DP_PROPERTY_MASK
-    if (l_is_Sticky) propertyPack = propertyPack + STICKY_PROPERTY_MASK
-    if (l_is_GB)     propertyPack = propertyPack + GB_PROPERTY_MASK
-    if (l_is_EAM)    propertyPack = propertyPack + EAM_PROPERTY_MASK
-
-    call setElementProperty(atypes, me, "propertyPack", propertyPack)
-
     if (l_is_LJ) then
        call setElementProperty(atypes, me, "lj_sigma", lj_sigma)
        call setElementProperty(atypes, me, "lj_epsilon", lj_epsilon)
@@ -81,6 +70,9 @@ contains
     if (l_is_DP) then
        call setElementProperty(atypes, me, "dipole_moment", dipole_moment)
     endif
+    if (l_is_Charge) then
+       call setElementProperty(atypes, me, "charge", charge)
+    endif
 
   end subroutine new_atype