ncpack_displ.f90

   1 MODULE NCPACK_DPL
   2          Use typeSizes
   3          Use NETCDF
   4          Use Dot_Geometry, ONLY : Rqd_Base,Rqd_Top,Hqd,ISHAPE
   5          Use Input_Data
   6          Use Auxiliar_Procedures, ONLY : MTYPE, check, open_over
   7   IMPLICIT NONE
   8
   9   INTEGER,PRIVATE :: ncFileID, HdVarID, RtVarID, RbVarID, NDots_XVarID, &
  10                      NDots_YVarID,NDots_ZVarID, A1VarID, A2VarID, A3VarID, &
  11                      DWL_VarID, Dim3ID
  12
  13
  14 CONTAINS
  15
  16   SUBROUTINE NCPACK_DPL_CART(UX,UY,UZ)
  17
  18
  19     IMPLICIT NONE
  20
  21     REAL,DIMENSION(:,:,:) ::  UX,UY,UZ
  22
  23     ! netcdf related variables
  24     integer :: DimXID, DimYID, DimZID,i,  &
  25                uxVarID, uyVarID, uzVarID, &
  26                DimXVarID, DimYVarID, DimZVarID
  27
  28     ! Local variables
  29     character (len = 60) :: fileName
  30
  31     !-----
  32     ! Initialization
  33     !-----
  34
  35     fileName = DPL_Filename
  36
  37
  38     ! --------------------
  39     ! Code begins
  40     ! --------------------
  41     if(.not. byteSizesOK()) then
  42       print *, "Compiler does not appear to support required kinds of variables."
  43       stop
  44     end if
  45
  46     ! Create the file
  47
  48     call open_over(fileName) !Check if a file with the same name exists
  49
  50     call check(nf90_create(path = trim(fileName), cmode = nf90_clobber, ncid = ncFileID))
  51
  52     CALL NCPACK_INPUT_DPL( )
  53
  54     ! Define the dimensions
  55     call check(nf90_def_dim(ncid = ncFileID, name = "dimx",     len = XDim,        dimid = DimXID))
  56     call check(nf90_def_dim(ncid = ncFileID, name = "dimy",     len = YDim,        dimid = DimYID))
  57     call check(nf90_def_dim(ncid = ncFileID, name = "dimz",     len = ZDim,        dimid = DimZID))
  58
  59     ! Create variables and attributes
  60
  61     ! Box sizes
  62
  63
  64     call check(nf90_def_var(ncFileID, "dimx", nf90_float, dimids = DimXID, varID = DimXVarID) )
  65     call check(nf90_put_att(ncFileID, DimXVarID, "long_name", "X dimension"))
  66     call check(nf90_put_att(ncFileID, DimXVarID, "units",     "Angstroms"))
  67
  68     call check(nf90_def_var(ncFileID, "dimy", nf90_float, dimids = DimYID, varID = DimYVarID) )
  69     call check(nf90_put_att(ncFileID, DimYVarID, "long_name", "Y dimension"))
  70     call check(nf90_put_att(ncFileID, DimYVarID, "units",     "Angstroms"))
  71
  72     call check(nf90_def_var(ncFileID, "dimz", nf90_float, dimids = DimZID, varID = DimZVarID) )
  73     call check(nf90_put_att(ncFileID, DimZVarID, "long_name", "Z dimension"))
  74     call check(nf90_put_att(ncFileID, DimZVarID, "units",     "Angstroms"))
  75
  76
  77     ! strain grids
  78     call check(nf90_def_var(ncid = ncFileID, name = "ux", xtype = nf90_float,     &
  79                        dimids = (/ DimXID, DimYID, DimZID /), varID = uxVarID) )
  80     call check(nf90_put_att(ncFileID, uxVarID, "long_name",   "ux"))
  81
  82     call check(nf90_def_var(ncid = ncFileID, name = "uy", xtype = nf90_float,     &
  83                        dimids = (/ DimXID, DimYID, DimZID /), varID = uyVarID) )
  84     call check(nf90_put_att(ncFileID, uyVarID, "long_name",   "uy"))
  85
  86     call check(nf90_def_var(ncid = ncFileID, name = "uz", xtype = nf90_float,     &
  87                        dimids = (/ DimXID, DimYID, DimZID /), varID = uzVarID) )
  88     call check(nf90_put_att(ncFileID, uxVarID, "long_name",   "uz"))
  89
  90     ! In the C++ interface the define a scalar variable - do we know how to do this?
  91     !call check(nf90_def_var(ncFileID, "ScalarVariable", nf90_real, scalarVarID))
  92
  93     ! Leave define mode
  94     call check(nf90_enddef(ncfileID))
  95
  96     ! Write the dimension variables
  97
  98     call check(nf90_put_var(ncFileID, DimXVarId,(/(X_Min+REAL(I-1)*X_Inc, i=1,XDim)/)) )
  99     call check(nf90_put_var(ncFileID, DimYVarId,(/(Y_Min+REAL(I-1)*Y_Inc, i=1,YDim)/)) )
 100     call check(nf90_put_var(ncFileID, DimZVarId,(/(Z_Min+REAL(I-1)*Z_Inc, i=1,ZDim)/)) )
 101
 102
 103     ! Write the Strain distributions
 104
 105     call check(nf90_put_var(ncFileID, uxVarID, ux) )
 106     call check(nf90_put_var(ncFileID, uyVarID, uy) )
 107     call check(nf90_put_var(ncFileID, uzVarID, uz) )
 108
 109     call check(nf90_close(ncFileID))
 110
 111   END SUBROUTINE NCPACK_DPL_CART
 112
 113   SUBROUTINE NCPACK_DPL_CYL(UR,UZ)
 114
 115     IMPLICIT NONE
 116
 117     REAL,DIMENSION(:,:,:) ::  UR,UZ
 118
 119     ! netcdf related variables
 120     integer :: DimXID, DimZID,i,  &
 121                urVarID, uzVarID,DimXVarID, DimZVarID
 122
 123     real, dimension(1:XDim,1:ZDim) :: U_AUX
 124
 125     ! Local variables
 126     character (len = 60) :: fileName
 127
 128     !-----
 129     ! Initialization
 130     !-----
 131
 132     fileName = DPL_Filename
 133
 134     ! --------------------
 135     ! Code begins
 136     ! --------------------
 137     if(.not. byteSizesOK()) then
 138       print *, "Compiler does not appear to support required kinds of variables."
 139       stop
 140     end if
 141
 142     ! Create the file
 143
 144     call open_over(fileName) !Check if a file with the same name exists
 145
 146     call check(nf90_create(path = trim(fileName), cmode = nf90_clobber, ncid = ncFileID))
 147
 148     CALL NCPACK_INPUT_DPL( )
 149
 150     ! Define the dimensions
 151     call check(nf90_def_dim(ncid = ncFileID, name = "dimx",     len = XDim,        dimid = DimXID))
 152     call check(nf90_def_dim(ncid = ncFileID, name = "dimz",     len = ZDim,        dimid = DimZID))
 153
 154     ! Create variables and attributes
 155
 156     ! Box sizes
 157
 158     call check(nf90_def_var(ncFileID, "dimx", nf90_float, dimids = DimXID, varID = DimXVarID) )
 159     call check(nf90_put_att(ncFileID, DimXVarID, "long_name", "Radial dimension"))
 160     call check(nf90_put_att(ncFileID, DimXVarID, "units",     "Angstroms"))
 161
 162     call check(nf90_def_var(ncFileID, "dimz", nf90_float, dimids = DimZID, varID = DimZVarID) )
 163     call check(nf90_put_att(ncFileID, DimZVarID, "long_name", "Z dimension"))
 164     call check(nf90_put_att(ncFileID, DimZVarID, "units",     "Angstroms"))
 165
 166
 167     ! strain grids
 168     call check(nf90_def_var(ncid = ncFileID, name = "ur", xtype = nf90_float,     &
 169                        dimids = (/ DimXID, DimZID /), varID = urVarID) )
 170     call check(nf90_put_att(ncFileID, urVarID, "long_name",   "ur"))
 171
 172     call check(nf90_def_var(ncid = ncFileID, name = "uz", xtype = nf90_float,     &
 173                        dimids = (/ DimXID, DimZID /), varID = uzVarID) )
 174     call check(nf90_put_att(ncFileID, uzVarID, "long_name",   "uz"))
 175
 176     ! Leave define mode
 177     call check(nf90_enddef(ncfileID))
 178
 179     ! Write the dimension variables
 180
 181     call check(nf90_put_var(ncFileID, DimXVarId,     (/(X_Min+REAL(I-1)*X_Inc, i=1,XDim)/)) )
 182     call check(nf90_put_var(ncFileID, DimZVarId,     (/(Z_Min+REAL(I-1)*Z_Inc, i=1,ZDim)/)) )
 183
 184
 185     ! Write the Strain distributions
 186
 187     U_AUX=UR(1:XDim,1,1:ZDim)
 188     call check(nf90_put_var(ncFileID, urVarID, U_AUX) )
 189
 190     U_AUX=UZ(1:XDim,1,1:ZDim)
 191     call check(nf90_put_var(ncFileID, uzVarID, U_AUX) )
 192
 193
 194     call check(nf90_close(ncFileID))
 195
 196   END SUBROUTINE NCPACK_DPL_CYL
 197
 198   SUBROUTINE NCPACK_INPUT_DPL( )
 199     IMPLICIT NONE
 200
 201     CHARACTER(LEN=200) :: stitle
 202
 203     call check(nf90_def_dim(ncid = ncFileID, name = "vector",   len = 3,           dimid = Dim3ID))
 204
 205     call check(nf90_def_var(ncid = ncFileID, name = "HD", xtype = nf90_float,     &
 206                             varID = HdVarID) )
 207     call check(nf90_put_att(ncFileID, HdVarID, "long_name",   "Dot Height (Angstroms)"))
 208
 209     call check(nf90_def_var(ncid = ncFileID, name = "RT", xtype = nf90_float,     &
 210                             varID = RtVarID) )
 211     call check(nf90_put_att(ncFileID, RtVarID, "long_name",   "Top Dot Radius (Angstroms)"))
 212
 213     call check(nf90_def_var(ncid = ncFileID, name = "RB", xtype = nf90_float,     &
 214                             varID = RbVarID ) )
 215     call check(nf90_put_att(ncFileID, RbVarID, "long_name",   "Base Dot Radius (Angstroms)"))
 216
 217     call check(nf90_def_var(ncid = ncFileID, name = "ND_X", xtype = nf90_int,     &
 218                             varID = NDots_XVarID ) )
 219     call check(nf90_put_att(ncFileID, NDots_XVarID, "long_name",   "Number of Dots along X-axis"))
 220
 221     call check(nf90_def_var(ncid = ncFileID, name = "ND_Y", xtype = nf90_int,     &
 222                             varID = NDots_YVarID ) )
 223     call check(nf90_put_att(ncFileID, NDots_YVarID, "long_name",   "Number of Dots along Y-axis"))
 224
 225     call check(nf90_def_var(ncid = ncFileID, name = "ND_Z", xtype = nf90_int,     &
 226                             varID = NDots_ZVarID ) )
 227     call check(nf90_put_att(ncFileID, NDots_ZVarID, "long_name",   "Number of Dots along Z-axis"))
 228
 229     call check(nf90_def_var(ncFileID, "A1", nf90_float, dimids = Dim3ID, varID = A1VarID) )
 230     call check(nf90_put_att(ncFileID, A1VarID, "long_name", "Vector A1 Superlattice"))
 231     call check(nf90_put_att(ncFileID, A1VarID, "units",     "Angstroms"))
 232
 233     call check(nf90_def_var(ncFileID, "A2", nf90_float, dimids = Dim3ID, varID = A2VarID) )
 234     call check(nf90_put_att(ncFileID, A2VarID, "long_name", "Vector A2 Superlattice"))
 235     call check(nf90_put_att(ncFileID, A2VarID, "units",     "Angstroms"))
 236
 237     call check(nf90_def_var(ncFileID, "A3", nf90_float, dimids = Dim3ID, varID = A3VarID) )
 238     call check(nf90_put_att(ncFileID, A3VarID, "long_name", "Vector A3 Superlattice"))
 239     call check(nf90_put_att(ncFileID, A3VarID, "units",     "Angstroms"))
 240
 241     call check(nf90_def_var(ncFileID, "DWL", nf90_float, varID = DWL_VarID))
 242
 243     SELECT CASE(ISHAPE)
 244       CASE(1)
 245         stitle="Shape: Truncated Cone. "
 246       CASE(2)
 247         stitle="Shape: Cap. "
 248     END SELECT
 249
 250     SELECT CASE(MTYPE)
 251       CASE(1) !! Isotropic Zincblende
 252         stitle="Material Type: Isotropic Zincblende. "//stitle
 253       CASE(2) !! Isotropic Wurtzite
 254         stitle="Material Type: Isotropic Wurtzite. "//stitle
 255       CASE(3) !! Anisotropic Wurtzite
 256         stitle="Material Type: Anisotropic Wurtzite. "//stitle
 257     END SELECT
 258
 259     ! Global attributes
 260     call check(nf90_put_att(ncFileID, nf90_global, "history", &
 261                        "NetCDF file"))
 262     stitle="Displacement distribution. "//stitle
 263
 264     call check(nf90_put_att(ncFileID, nf90_global, "title", TRIM(stitle)))
 265
 266     call check(nf90_enddef(ncfileID))
 267
 268     call check(nf90_put_var(ncFileID, RbVarId, Rqd_Base ) )
 269     call check(nf90_put_var(ncFileID, RtVarId, Rqd_Top ) )
 270     call check(nf90_put_var(ncFileID, HdVarId, Hqd ) )
 271     call check(nf90_put_var(ncFileID, DWL_VarId, D*ZC ) )
 272     call check(nf90_put_var(ncFileID, NDots_XVarId, NMax_X-NMin_X+1 ) )
 273     call check(nf90_put_var(ncFileID, NDots_YVarId, NMax_Y-NMin_Y+1 ) )
 274     call check(nf90_put_var(ncFileID, NDots_ZVarId, NMax_Z-NMin_Z+1 ) )
 275     call check(nf90_put_var(ncFileID, A1VarId, A1_S ) )
 276     call check(nf90_put_var(ncFileID, A2VarId, A2_S ) )
 277     call check(nf90_put_var(ncFileID, A3VarId, A3_S ) )
 278
 279
 280     call check(nf90_redef(ncfileID))
 281
 282     RETURN
 283
 284   END SUBROUTINE NCPACK_INPUT_DPL
 285
 286
 287 END MODULE NCPACK_DPL
 288