ncpack_pzo.f90

   1 MODULE NCPACK_PZO
   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_PZ(P_SPONT,P_PIEZO)
  17
  18     IMPLICIT NONE
  19
  20     REAL,DIMENSION(:,:,:) ::  P_SPONT,P_PIEZO
  21
  22     ! netcdf related variables
  23     integer :: DimXID, DimYID, DimZID,i,  &
  24                pspVarID, ppzVarID, pttVarID,&
  25                DimXVarID, DimYVarID, DimZVarID
  26
  27     ! Local variables
  28     character (len = 60) :: fileName
  29
  30     real, dimension(1:XDim,1:ZDim) :: PZO_AUX
  31
  32     !-----
  33     ! Initialization
  34     !-----
  35
  36     fileName = PZO_Filename
  37
  38
  39     ! --------------------
  40     ! Code begins
  41     ! --------------------
  42     if(.not. byteSizesOK()) then
  43       print *, "Compiler does not appear to support required kinds of variables."
  44       stop
  45     end if
  46
  47     ! Create the file
  48
  49     call open_over(fileName) !Check if a file with the same name exists
  50
  51     call check(nf90_create(path = trim(fileName), cmode = nf90_clobber, ncid = ncFileID))
  52
  53     CALL NCPACK_INPUT_PZO( )
  54
  55     ! Define the dimensions
  56     call check(nf90_def_dim(ncid = ncFileID, name = "dimx",     len = XDim,        dimid = DimXID))
  57     IF(KCOOR.EQ.0) &
  58     call check(nf90_def_dim(ncid = ncFileID, name = "dimy",     len = YDim,        dimid = DimYID))
  59     call check(nf90_def_dim(ncid = ncFileID, name = "dimz",     len = ZDim,        dimid = DimZID))
  60
  61     ! Create variables and attributes
  62
  63     ! Box sizes
  64
  65
  66     call check(nf90_def_var(ncFileID, "dimx", nf90_float, dimids = DimXID, varID = DimXVarID) )
  67     call check(nf90_put_att(ncFileID, DimXVarID, "long_name", "Radial dimension"))
  68     call check(nf90_put_att(ncFileID, DimXVarID, "units",     "Angstroms"))
  69
  70     IF (KCOOR.EQ.0) THEN
  71     call check(nf90_def_var(ncFileID, "dimy", nf90_float, dimids = DimYID, varID = DimYVarID) )
  72     call check(nf90_put_att(ncFileID, DimYVarID, "long_name", "Z dimension"))
  73     call check(nf90_put_att(ncFileID, DimYVarID, "units",     "Angstroms"))
  74     END IF
  75
  76     call check(nf90_def_var(ncFileID, "dimz", nf90_float, dimids = DimZID, varID = DimZVarID) )
  77     call check(nf90_put_att(ncFileID, DimZVarID, "long_name", "Z dimension"))
  78     call check(nf90_put_att(ncFileID, DimZVarID, "units",     "Angstroms"))
  79
  80
  81     ! potential grids
  82     SELECT CASE(KCOOR)
  83     CASE(0)
  84        call check(nf90_def_var(ncid = ncFileID, name = "P_SP", xtype = nf90_float,     &
  85                           dimids = (/ DimXID, DimYID, DimZID /), varID = pspVarID) )
  86        call check(nf90_put_att(ncFileID, pspVarID, "long_name", "Potential SP"))
  87
  88        call check(nf90_def_var(ncid = ncFileID, name = "P_PZ", xtype = nf90_float,     &
  89                           dimids = (/ DimXID, DimYID, DimZID /), varID = ppzVarID) )
  90        call check(nf90_put_att(ncFileID, ppzVarID, "long_name",   "Potential PZ"))
  91
  92        call check(nf90_def_var(ncid = ncFileID, name = "P_TOT", xtype = nf90_float,     &
  93                           dimids = (/ DimXID, DimYID, DimZID /), varID = pttVarID) )
  94        call check(nf90_put_att(ncFileID, pttVarID, "long_name",   "Total Potential"))
  95     CASE(1)
  96        call check(nf90_def_var(ncid = ncFileID, name = "P_SP", xtype = nf90_float,     &
  97                           dimids = (/ DimXID, DimZID /), varID = pspVarID) )
  98        call check(nf90_put_att(ncFileID, pspVarID, "long_name", "Potential SP"))
  99
 100        call check(nf90_def_var(ncid = ncFileID, name = "P_PZ", xtype = nf90_float,     &
 101                           dimids = (/ DimXID, DimZID /), varID = ppzVarID) )
 102        call check(nf90_put_att(ncFileID, ppzVarID, "long_name",   "Potential PZ"))
 103
 104        call check(nf90_def_var(ncid = ncFileID, name = "P_TOT", xtype = nf90_float,     &
 105                           dimids = (/ DimXID, DimZID /), varID = pttVarID) )
 106        call check(nf90_put_att(ncFileID, pttVarID, "long_name",   "Total Potential"))
 107     END SELECT
 108     ! In the C++ interface the define a scalar variable - do we know how to do this?
 109     !call check(nf90_def_var(ncFileID, "ScalarVariable", nf90_real, scalarVarID))
 110
 111     ! Leave define mode
 112     call check(nf90_enddef(ncfileID))
 113
 114     ! Write the dimension variables
 115
 116     call check(nf90_put_var(ncFileID, DimXVarId,     (/(X_Min+REAL(I-1)*X_Inc, i=1,XDim)/)) )
 117     IF(KCOOR.EQ.0) &
 118     call check(nf90_put_var(ncFileID, DimYVarId,     (/(Y_Min+REAL(I-1)*Y_Inc, i=1,YDim)/)) )
 119     call check(nf90_put_var(ncFileID, DimZVarId,     (/(Z_Min+REAL(I-1)*Z_Inc, i=1,ZDim)/)) )
 120
 121
 122     ! Write the Strain distributions
 123
 124     SELECT CASE(KCOOR)
 125     CASE(0)
 126       call check(nf90_put_var(ncFileID, pspVarID, P_SPONT) )
 127       call check(nf90_put_var(ncFileID, ppzVarID, P_PIEZO) )
 128       call check(nf90_put_var(ncFileID, pttVarID, P_SPONT+P_PIEZO) )
 129     CASE(1)
 130       PZO_AUX=P_SPONT(1:XDim,1,1:ZDim)
 131        call check(nf90_put_var(ncFileID, pspVarID, PZO_AUX) )
 132       PZO_AUX=P_PIEZO(1:XDim,1,1:ZDim)
 133        call check(nf90_put_var(ncFileID, ppzVarID, PZO_AUX) )
 134       PZO_AUX=P_SPONT(1:XDim,1,1:ZDim)+P_PIEZO(1:XDim,1,1:ZDim)
 135        call check(nf90_put_var(ncFileID, pttVarID, PZO_AUX) )
 136     END SELECT
 137
 138     call check(nf90_close(ncFileID))
 139
 140   END SUBROUTINE NCPACK_PZ
 141
 142   SUBROUTINE NCREAD_PZ(P_SPONT,P_PIEZO)
 143
 144
 145     IMPLICIT NONE
 146
 147     REAL,DIMENSION(:,:,:) ::  P_SPONT,P_PIEZO
 148
 149     ! netcdf related variables
 150     integer :: DimXID, DimYID, DimZID,  &
 151                pspVarID, ppzVarID
 152
 153
 154     integer :: NcDimX,NcDimY,NcDimZ
 155
 156     real, dimension(1:XDim,1:ZDim) :: PZO_AUX
 157
 158     ! Local variables
 159     character (len = 60) :: fileName
 160
 161     !-----
 162     ! Initialization
 163     !-----
 164
 165     fileName = PZO_Filename
 166
 167     ! --------------------
 168     ! Code begins
 169     ! --------------------
 170     if(.not. byteSizesOK()) then
 171       print *, "Compiler does not appear to support required kinds of variables."
 172       stop
 173     end if
 174
 175     ! Create the file
 176
 177     call check(nf90_open(path = trim(fileName), mode = nf90_nowrite, ncid = ncFileID))
 178
 179     ! Define the dimensions
 180     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimx", dimid = DimXID))
 181     IF(KCOOR.EQ.0) &
 182     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimy", dimid = DimYID))
 183     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimz", dimid = DimZID))
 184
 185     ! Create variables and attributes
 186     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimXID, len = NcDimX))
 187     IF(KCOOR.EQ.0) &
 188     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimYID, len = NcDimY))
 189     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimZID, len = NcDimZ))
 190
 191     IF(KCOOR.EQ.0) THEN
 192        if ((NcDimX.ne.XDim).or.(NcDimY.ne.YDim).or.(NcDimZ.ne.ZDim)) then
 193                write(6,*)"Dimensions problem:"
 194                write(6,*)"Dimensions of the NetCDF File: ",TRIM(filename)
 195                write(6,*)"DimX:",NcDimX
 196                write(6,*)"DimY:",NcDimY
 197                write(6,*)"DimZ:",NcDimZ
 198                write(6,*)"Dimensions defined on actual run:"
 199                write(6,*)"DimX-Y-Z:",XDim,YDim,ZDim
 200                STOP
 201        end if
 202      ELSE
 203        if ((NcDimX.ne.XDim).or.(NcDimZ.ne.ZDim)) then
 204                write(6,*)"Dimensions problem:"
 205                write(6,*)"Dimensions of the NetCDF File: ",TRIM(filename)
 206                write(6,*)"DimX:",NcDimX
 207                write(6,*)"DimZ:",NcDimZ
 208                write(6,*)"Dimensions defined on actual run:"
 209                write(6,*)"DimX-Y-Z:",XDim,ZDim
 210                STOP
 211        end if
 212      END IF
 213
 214   call check(nf90_inq_varid(ncid = ncFileID, name = "P_SP",     &
 215                      varID = pspVarID) )
 216   call check(nf90_inq_varid(ncid = ncFileID, name = "P_PZ",     &
 217                      varID = ppzVarID) )
 218
 219     ! Read the Strain distributions
 220
 221     SELECT CASE(KCOOR)
 222     CASE(0)
 223       call check(nf90_get_var(ncFileID, pspVarID, P_SPONT) )
 224       call check(nf90_get_var(ncFileID, ppzVarID, P_PIEZO) )
 225     CASE(1)
 226        call check(nf90_get_var(ncFileID, pspVarID, PZO_AUX) )
 227        P_SPONT(1:XDim,1,1:ZDim)=PZO_AUX
 228        call check(nf90_get_var(ncFileID, ppzVarID, PZO_AUX) )
 229        P_PIEZO(1:XDim,1,1:ZDim)=PZO_AUX
 230     END SELECT
 231
 232     call check(nf90_close(ncFileID))
 233
 234   END SUBROUTINE NCREAD_PZ
 235
 236   SUBROUTINE NCPACK_INPUT_PZO( )
 237     IMPLICIT NONE
 238
 239     CHARACTER(LEN=200) :: stitle
 240
 241     call check(nf90_def_dim(ncid = ncFileID, name = "vector",   len = 3,           dimid = Dim3ID))
 242
 243     call check(nf90_def_var(ncid = ncFileID, name = "HD", xtype = nf90_float,     &
 244                             varID = HdVarID) )
 245     call check(nf90_put_att(ncFileID, HdVarID, "long_name",   "Dot Height (Angstroms)"))
 246
 247     call check(nf90_def_var(ncid = ncFileID, name = "RT", xtype = nf90_float,     &
 248                             varID = RtVarID) )
 249     call check(nf90_put_att(ncFileID, RtVarID, "long_name",   "Top Dot Radius (Angstroms)"))
 250
 251     call check(nf90_def_var(ncid = ncFileID, name = "RB", xtype = nf90_float,     &
 252                             varID = RbVarID ) )
 253     call check(nf90_put_att(ncFileID, RbVarID, "long_name",   "Base Dot Radius (Angstroms)"))
 254
 255     call check(nf90_def_var(ncid = ncFileID, name = "ND_X", xtype = nf90_int,     &
 256                             varID = NDots_XVarID ) )
 257     call check(nf90_put_att(ncFileID, NDots_XVarID, "long_name",   "Number of Dots along X-axis"))
 258
 259     call check(nf90_def_var(ncid = ncFileID, name = "ND_Y", xtype = nf90_int,     &
 260                             varID = NDots_YVarID ) )
 261     call check(nf90_put_att(ncFileID, NDots_YVarID, "long_name",   "Number of Dots along Y-axis"))
 262
 263     call check(nf90_def_var(ncid = ncFileID, name = "ND_Z", xtype = nf90_int,     &
 264                             varID = NDots_ZVarID ) )
 265     call check(nf90_put_att(ncFileID, NDots_ZVarID, "long_name",   "Number of Dots along Z-axis"))
 266
 267     call check(nf90_def_var(ncFileID, "A1", nf90_float, dimids = Dim3ID, varID = A1VarID) )
 268     call check(nf90_put_att(ncFileID, A1VarID, "long_name", "Vector A1 Superlattice"))
 269     call check(nf90_put_att(ncFileID, A1VarID, "units",     "Angstroms"))
 270
 271     call check(nf90_def_var(ncFileID, "A2", nf90_float, dimids = Dim3ID, varID = A2VarID) )
 272     call check(nf90_put_att(ncFileID, A2VarID, "long_name", "Vector A2 Superlattice"))
 273     call check(nf90_put_att(ncFileID, A2VarID, "units",     "Angstroms"))
 274
 275     call check(nf90_def_var(ncFileID, "A3", nf90_float, dimids = Dim3ID, varID = A3VarID) )
 276     call check(nf90_put_att(ncFileID, A3VarID, "long_name", "Vector A3 Superlattice"))
 277     call check(nf90_put_att(ncFileID, A3VarID, "units",     "Angstroms"))
 278
 279     call check(nf90_def_var(ncFileID, "DWL", nf90_float, varID = DWL_VarID))
 280
 281     SELECT CASE(ISHAPE)
 282       CASE(1)
 283         stitle="Shape: Truncated Cone. "
 284       CASE(2)
 285         stitle="Shape: Cap. "
 286     END SELECT
 287
 288     SELECT CASE(MTYPE)
 289       CASE DEFAULT !! Anisotropic Wurtzite
 290         stitle="Material Type: Anisotropic Wurtzite. "//stitle
 291     END SELECT
 292
 293     ! Global attributes
 294     call check(nf90_put_att(ncFileID, nf90_global, "history", &
 295                        "NetCDF file"))
 296     stitle="Electrostatic Potential. "//stitle
 297
 298     call check(nf90_put_att(ncFileID, nf90_global, "title", TRIM(stitle)))
 299
 300     call check(nf90_enddef(ncfileID))
 301
 302     call check(nf90_put_var(ncFileID, RbVarId, Rqd_Base ) )
 303     call check(nf90_put_var(ncFileID, RtVarId, Rqd_Top ) )
 304     call check(nf90_put_var(ncFileID, HdVarId, Hqd ) )
 305     call check(nf90_put_var(ncFileID, DWL_VarId, D*ZC ) )
 306     call check(nf90_put_var(ncFileID, NDots_XVarId, NMax_X-NMin_X+1 ) )
 307     call check(nf90_put_var(ncFileID, NDots_YVarId, NMax_Y-NMin_Y+1 ) )
 308     call check(nf90_put_var(ncFileID, NDots_ZVarId, NMax_Z-NMin_Z+1 ) )
 309     call check(nf90_put_var(ncFileID, A1VarId, A1_S ) )
 310     call check(nf90_put_var(ncFileID, A2VarId, A2_S ) )
 311     call check(nf90_put_var(ncFileID, A3VarId, A3_S ) )
 312
 313
 314     call check(nf90_redef(ncfileID))
 315
 316     RETURN
 317
 318   END SUBROUTINE NCPACK_INPUT_PZO
 319
 320 END MODULE NCPACK_PZO
 321