ncpack_str.f90

   1 MODULE NCPACK_STR
   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_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
  17
  18
  19     IMPLICIT NONE
  20
  21     REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
  22
  23     ! netcdf related variables
  24     integer :: DimXID, DimYID, DimZID,i,  &
  25                exxVarID, eyyVarID, ezzVarID, exyVarID, exzVarID, eyzVarID, &
  26                ehidVarID,etilVarID,DimXVarID, DimYVarID, DimZVarID
  27
  28     ! Local variables
  29     character (len = 60) :: fileName
  30
  31     !-----
  32     ! Initialization
  33     !-----
  34
  35     fileName = STR_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_STR( )
  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 = "exx", xtype = nf90_float,     &
  79                        dimids = (/ DimXID, DimYID, DimZID /), varID = exxVarID) )
  80     call check(nf90_put_att(ncFileID, exxVarID, "long_name",   "exx"))
  81
  82     call check(nf90_def_var(ncid = ncFileID, name = "eyy", xtype = nf90_float,     &
  83                        dimids = (/ DimXID, DimYID, DimZID /), varID = eyyVarID) )
  84     call check(nf90_put_att(ncFileID, eyyVarID, "long_name",   "eyy"))
  85
  86     call check(nf90_def_var(ncid = ncFileID, name = "ezz", xtype = nf90_float,     &
  87                        dimids = (/ DimXID, DimYID, DimZID /), varID = ezzVarID) )
  88     call check(nf90_put_att(ncFileID, ezzVarID, "long_name",   "ezz"))
  89
  90     call check(nf90_def_var(ncid = ncFileID, name = "exy", xtype = nf90_float,     &
  91                        dimids = (/ DimXID, DimYID, DimZID /), varID = exyVarID) )
  92     call check(nf90_put_att(ncFileID, exyVarID, "long_name",   "exy"))
  93
  94     call check(nf90_def_var(ncid = ncFileID, name = "exz", xtype = nf90_float,     &
  95                        dimids = (/ DimXID, DimYID, DimZID /), varID = exzVarID) )
  96     call check(nf90_put_att(ncFileID, exzVarID, "long_name",   "exz"))
  97
  98     call check(nf90_def_var(ncid = ncFileID, name = "eyz", xtype = nf90_float,     &
  99                        dimids = (/ DimXID, DimYID, DimZID /), varID = eyzVarID) )
 100     call check(nf90_put_att(ncFileID, eyzVarID, "long_name",   "eyz"))
 101
 102     call check(nf90_def_var(ncid = ncFileID, name = "ehid", xtype = nf90_float,     &
 103                        dimids = (/ DimXID, DimYID, DimZID /), varID = ehidVarID) )
 104     call check(nf90_put_att(ncFileID, ehidVarID, "long_name",   "Hidrostatic Strain"))
 105
 106     call check(nf90_def_var(ncid = ncFileID, name = "etil", xtype = nf90_float,     &
 107                        dimids = (/ DimXID, DimYID, DimZID /), varID = etilVarID) )
 108     call check(nf90_put_att(ncFileID, etilVarID, "long_name",   "etil = exx + eyy - 2 * ezz"))
 109
 110     ! In the C++ interface the define a scalar variable - do we know how to do this?
 111     !call check(nf90_def_var(ncFileID, "ScalarVariable", nf90_real, scalarVarID))
 112
 113     ! Leave define mode
 114     call check(nf90_enddef(ncfileID))
 115
 116     ! Write the dimension variables
 117
 118     call check(nf90_put_var(ncFileID, DimXVarId,     (/(X_Min+REAL(I-1)*X_Inc, i=1,XDim)/)) )
 119     call check(nf90_put_var(ncFileID, DimYVarId,     (/(Y_Min+REAL(I-1)*Y_Inc, i=1,YDim)/)) )
 120     call check(nf90_put_var(ncFileID, DimZVarId,     (/(Z_Min+REAL(I-1)*Z_Inc, i=1,ZDim)/)) )
 121
 122
 123     ! Write the Strain distributions
 124
 125     call check(nf90_put_var(ncFileID, exxVarID, exx) )
 126     call check(nf90_put_var(ncFileID, eyyVarID, eyy) )
 127     call check(nf90_put_var(ncFileID, ezzVarID, ezz) )
 128     call check(nf90_put_var(ncFileID, exyVarID, exy) )
 129     call check(nf90_put_var(ncFileID, exzVarID, exz) )
 130     call check(nf90_put_var(ncFileID, eyzVarID, eyz) )
 131     call check(nf90_put_var(ncFileID, ehidVarID, exx+eyy+ezz) )
 132     call check(nf90_put_var(ncFileID, etilVarID, exx+eyy-2.E0*ezz) )
 133
 134     call check(nf90_close(ncFileID))
 135
 136   END SUBROUTINE NCPACK_CART
 137
 138   SUBROUTINE NCREAD_CART(EXX,EYY,EZZ,EXY,EXZ,EYZ)
 139
 140
 141     IMPLICIT NONE
 142
 143     REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
 144
 145     ! netcdf related variables
 146     integer :: DimXID, DimYID, DimZID,  &
 147                exxVarID, eyyVarID, ezzVarID, exyVarID, exzVarID, eyzVarID
 148
 149
 150     integer :: NcDimX,NcDimY,NcDimZ
 151
 152     ! Local variables
 153     character (len = 60) :: fileName
 154
 155     !-----
 156     ! Initialization
 157     !-----
 158
 159     fileName = STR_Filename
 160
 161
 162     ! --------------------
 163     ! Code begins
 164     ! --------------------
 165     if(.not. byteSizesOK()) then
 166       print *, "Compiler does not appear to support required kinds of variables."
 167       stop
 168     end if
 169
 170     ! Create the file
 171
 172     call check(nf90_open(path = trim(fileName), mode = nf90_nowrite, ncid = ncFileID))
 173
 174     ! Define the dimensions
 175     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimx", dimid = DimXID))
 176     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimy", dimid = DimYID))
 177     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimz", dimid = DimZID))
 178
 179     ! Create variables and attributes
 180     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimXID, len = NcDimX))
 181     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimYID, len = NcDimY))
 182     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimZID, len = NcDimZ))
 183
 184     if ((NcDimX.ne.XDim).or.(NcDimY.ne.YDim).or.(NcDimZ.ne.ZDim)) then
 185             write(6,*)"Dimensions problem:"
 186             write(6,*)"Dimensions of the NetCDF File: ",TRIM(filename)
 187             write(6,*)"DimX:",NcDimX
 188             write(6,*)"DimY:",NcDimY
 189             write(6,*)"DimZ:",NcDimZ
 190             write(6,*)"Dimensions defined on actual run:"
 191             write(6,*)"DimX-Y-Z:",XDim,YDim,ZDim
 192             STOP
 193     end if
 194
 195
 196   call check(nf90_inq_varid(ncid = ncFileID, name = "exx",     &
 197                      varID = exxVarID) )
 198   call check(nf90_inq_varid(ncid = ncFileID, name = "eyy",     &
 199                      varID = eyyVarID) )
 200   call check(nf90_inq_varid(ncid = ncFileID, name = "ezz",     &
 201                      varID = ezzVarID) )
 202   call check(nf90_inq_varid(ncid = ncFileID, name = "exy",     &
 203                      varID = exyVarID) )
 204   call check(nf90_inq_varid(ncid = ncFileID, name = "exz",     &
 205                      varID = exzVarID) )
 206   call check(nf90_inq_varid(ncid = ncFileID, name = "eyz",     &
 207                      varID = eyzVarID) )
 208
 209     ! Read the Strain distributions
 210
 211     call check(nf90_get_var(ncFileID, exxVarID, exx) )
 212     call check(nf90_get_var(ncFileID, eyyVarID, eyy) )
 213     call check(nf90_get_var(ncFileID, ezzVarID, ezz) )
 214     call check(nf90_get_var(ncFileID, exyVarID, exy) )
 215     call check(nf90_get_var(ncFileID, exzVarID, exz) )
 216     call check(nf90_get_var(ncFileID, eyzVarID, eyz) )
 217
 218     call check(nf90_close(ncFileID))
 219
 220   END SUBROUTINE NCREAD_CART
 221
 222
 223   SUBROUTINE NCPACK_CYL(EXX,EYY,EZZ,EXZ)
 224
 225     IMPLICIT NONE
 226
 227     REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXZ
 228
 229     ! netcdf related variables
 230     integer :: DimXID, DimZID,i,  &
 231                esumVarID, errVarID, e00VarID, edifVarID, ezzVarID, erzVarID, &
 232                ehidVarID,etilVarID,DimXVarID, DimZVarID
 233
 234     real, dimension(1:XDim,1:ZDim) :: STR_AUX
 235
 236     ! Local variables
 237     character (len = 60) :: fileName
 238
 239     !-----
 240     ! Initialization
 241     !-----
 242
 243     fileName = STR_Filename
 244
 245     ! --------------------
 246     ! Code begins
 247     ! --------------------
 248     if(.not. byteSizesOK()) then
 249       print *, "Compiler does not appear to support required kinds of variables."
 250       stop
 251     end if
 252
 253     ! Create the file
 254
 255     call open_over(fileName) !Check if a file with the same name exists
 256
 257     call check(nf90_create(path = trim(fileName), cmode = nf90_clobber, ncid = ncFileID))
 258
 259     CALL NCPACK_INPUT_STR( )
 260
 261     ! Define the dimensions
 262     call check(nf90_def_dim(ncid = ncFileID, name = "dimx",     len = XDim,        dimid = DimXID))
 263     call check(nf90_def_dim(ncid = ncFileID, name = "dimz",     len = ZDim,        dimid = DimZID))
 264
 265     ! Create variables and attributes
 266
 267     ! Box sizes
 268
 269     call check(nf90_def_var(ncFileID, "dimx", nf90_float, dimids = DimXID, varID = DimXVarID) )
 270     call check(nf90_put_att(ncFileID, DimXVarID, "long_name", "Radial dimension"))
 271     call check(nf90_put_att(ncFileID, DimXVarID, "units",     "Angstroms"))
 272
 273     call check(nf90_def_var(ncFileID, "dimz", nf90_float, dimids = DimZID, varID = DimZVarID) )
 274     call check(nf90_put_att(ncFileID, DimZVarID, "long_name", "Z dimension"))
 275     call check(nf90_put_att(ncFileID, DimZVarID, "units",     "Angstroms"))
 276
 277
 278     ! strain grids
 279     call check(nf90_def_var(ncid = ncFileID, name = "esum", xtype = nf90_float,     &
 280                        dimids = (/ DimXID, DimZID /), varID = esumVarID) )
 281     call check(nf90_put_att(ncFileID, esumVarID, "long_name",   "err+e00"))
 282
 283     call check(nf90_def_var(ncid = ncFileID, name = "err", xtype = nf90_float,     &
 284                        dimids = (/ DimXID, DimZID /), varID = errVarID) )
 285     call check(nf90_put_att(ncFileID, errVarID, "long_name",   "err"))
 286
 287     call check(nf90_def_var(ncid = ncFileID, name = "e00", xtype = nf90_float,     &
 288                        dimids = (/ DimXID, DimZID /), varID = e00VarID) )
 289     call check(nf90_put_att(ncFileID, e00VarID, "long_name",   "e00"))
 290
 291     call check(nf90_def_var(ncid = ncFileID, name = "ezz", xtype = nf90_float,     &
 292                        dimids = (/ DimXID, DimZID /), varID = ezzVarID) )
 293     call check(nf90_put_att(ncFileID, ezzVarID, "long_name",   "ezz"))
 294
 295     call check(nf90_def_var(ncid = ncFileID, name = "edif", xtype = nf90_float,     &
 296                        dimids = (/ DimXID, DimZID /), varID = edifVarID) )
 297     call check(nf90_put_att(ncFileID, edifVarID, "long_name",   "edif"))
 298
 299     call check(nf90_def_var(ncid = ncFileID, name = "erz", xtype = nf90_float,     &
 300                        dimids = (/ DimXID, DimZID /), varID = erzVarID) )
 301     call check(nf90_put_att(ncFileID, erzVarID, "long_name",   "erz"))
 302
 303     call check(nf90_def_var(ncid = ncFileID, name = "ehid", xtype = nf90_float,     &
 304                        dimids = (/ DimXID, DimZID /), varID = ehidVarID) )
 305     call check(nf90_put_att(ncFileID, ehidVarID, "long_name",   "Hidrostatic Strain"))
 306
 307     call check(nf90_def_var(ncid = ncFileID, name = "etil", xtype = nf90_float,     &
 308                        dimids = (/ DimXID, DimZID /), varID = etilVarID) )
 309     call check(nf90_put_att(ncFileID, etilVarID, "long_name",   "etil = exx + eyy - 2 * ezz"))
 310
 311     ! Leave define mode
 312     call check(nf90_enddef(ncfileID))
 313
 314     ! Write the dimension variables
 315
 316     call check(nf90_put_var(ncFileID, DimXVarId,     (/(X_Min+REAL(I-1)*X_Inc, i=1,XDim)/)) )
 317     call check(nf90_put_var(ncFileID, DimZVarId,     (/(Z_Min+REAL(I-1)*Z_Inc, i=1,ZDim)/)) )
 318
 319
 320     ! Write the Strain distributions
 321
 322     STR_AUX=EXX(1:XDim,1,1:ZDim)+EYY(1:XDim,1,1:ZDim)
 323     call check(nf90_put_var(ncFileID, esumVarID, STR_AUX) )
 324
 325     STR_AUX=EXX(1:XDim,1,1:ZDim)
 326     call check(nf90_put_var(ncFileID, errVarID, STR_AUX) )
 327
 328     STR_AUX=EYY(1:XDim,1,1:ZDim)
 329     call check(nf90_put_var(ncFileID, e00VarID, STR_AUX) )
 330
 331     STR_AUX=EZZ(1:XDim,1,1:ZDim)
 332     call check(nf90_put_var(ncFileID, ezzVarID, STR_AUX) )
 333
 334     STR_AUX=EXX(1:XDim,1,1:ZDim)-EYY(1:XDim,1,1:ZDim)
 335     call check(nf90_put_var(ncFileID, edifVarID, STR_AUX) )
 336
 337     STR_AUX=EXZ(1:XDim,1,1:ZDim)
 338     call check(nf90_put_var(ncFileID, erzVarID, STR_AUX) )
 339
 340     STR_AUX=EXX(1:XDim,1,1:ZDim)+EYY(1:XDim,1,1:ZDim)+EZZ(1:XDim,1,1:ZDim)
 341     call check(nf90_put_var(ncFileID, ehidVarID, STR_AUX) )
 342
 343     STR_AUX=EXX(1:XDim,1,1:ZDim)+EYY(1:XDim,1,1:ZDim)+2.*EZZ(1:XDim,1,1:ZDim)
 344     call check(nf90_put_var(ncFileID, etilVarID, STR_AUX) )
 345
 346     call check(nf90_close(ncFileID))
 347
 348   END SUBROUTINE NCPACK_CYL
 349
 350   SUBROUTINE NCREAD_CYL(EXX,EYY,EZZ,EXZ)
 351
 352
 353     IMPLICIT NONE
 354
 355     REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXZ
 356
 357     ! netcdf related variables
 358     integer :: DimXID, DimZID,  &
 359                errVarID, e00VarID, ezzVarID, erzVarID
 360
 361
 362     real, dimension(1:XDim,1:ZDim) :: STR_AUX
 363
 364     integer :: NcDimX,NcDimZ
 365
 366     ! Local variables
 367     character (len = 60) :: fileName
 368
 369     !-----
 370     ! Initialization
 371     !-----
 372
 373     fileName = STR_Filename
 374
 375
 376     ! --------------------
 377     ! Code begins
 378     ! --------------------
 379     if(.not. byteSizesOK()) then
 380       print *, "Compiler does not appear to support required kinds of variables."
 381       stop
 382     end if
 383
 384     ! Create the file
 385
 386     call check(nf90_open(path = trim(fileName), mode = nf90_nowrite, ncid = ncFileID))
 387
 388     ! Define the dimensions
 389     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimx", dimid = DimXID))
 390     call check(nf90_inq_dimid(ncid = ncFileID, name = "dimz", dimid = DimZID))
 391
 392     ! Create variables and attributes
 393     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimXID, len = NcDimX))
 394     call check(nf90_Inquire_Dimension(ncid = ncFileID, dimid = DimZID, len = NcDimZ))
 395
 396     if ((NcDimX.ne.XDim).or.(NcDimZ.ne.ZDim)) then
 397             write(6,*)"Dimensions problem:"
 398             write(6,*)"Dimensions of the NetCDF File: ",TRIM(filename)
 399             write(6,*)"DimX:",NcDimX
 400             write(6,*)"DimZ:",NcDimZ
 401             write(6,*)"Dimensions defined on actual run:"
 402             write(6,*)"DimX-Z:", XDim,ZDim
 403             STOP
 404     end if
 405
 406
 407   call check(nf90_inq_varid(ncid = ncFileID, name = "err",     &
 408                      varID = errVarID) )
 409   call check(nf90_inq_varid(ncid = ncFileID, name = "e00",     &
 410                      varID = e00VarID) )
 411   call check(nf90_inq_varid(ncid = ncFileID, name = "ezz",     &
 412                      varID = ezzVarID) )
 413   call check(nf90_inq_varid(ncid = ncFileID, name = "erz",     &
 414                      varID = erzVarID) )
 415
 416     ! Read the Strain distributions
 417
 418     call check(nf90_get_var(ncFileID, errVarID, STR_AUX) )
 419     EXX(1:XDim,1,1:ZDim)=STR_AUX
 420     call check(nf90_get_var(ncFileID, e00VarID, STR_AUX) )
 421     EYY(1:XDim,1,1:ZDim)=STR_AUX
 422     call check(nf90_get_var(ncFileID, ezzVarID, STR_AUX) )
 423     EZZ(1:XDim,1,1:ZDim)=STR_AUX
 424     call check(nf90_get_var(ncFileID, erzVarID, STR_AUX) )
 425     EXZ(1:XDim,1,1:ZDim)=STR_AUX
 426
 427     call check(nf90_close(ncFileID))
 428
 429     RETURN
 430
 431   END SUBROUTINE NCREAD_CYL
 432
 433   SUBROUTINE NCPACK_INPUT_STR( )
 434     IMPLICIT NONE
 435
 436     CHARACTER(LEN=200) :: stitle
 437
 438     call check(nf90_def_dim(ncid = ncFileID, name = "vector",   len = 3,           dimid = Dim3ID))
 439
 440     call check(nf90_def_var(ncid = ncFileID, name = "HD", xtype = nf90_float,     &
 441                             varID = HdVarID) )
 442     call check(nf90_put_att(ncFileID, HdVarID, "long_name",   "Dot Height (Angstroms)"))
 443
 444     call check(nf90_def_var(ncid = ncFileID, name = "RT", xtype = nf90_float,     &
 445                             varID = RtVarID) )
 446     call check(nf90_put_att(ncFileID, RtVarID, "long_name",   "Top Dot Radius (Angstroms)"))
 447
 448     call check(nf90_def_var(ncid = ncFileID, name = "RB", xtype = nf90_float,     &
 449                             varID = RbVarID ) )
 450     call check(nf90_put_att(ncFileID, RbVarID, "long_name",   "Base Dot Radius (Angstroms)"))
 451
 452     call check(nf90_def_var(ncid = ncFileID, name = "ND_X", xtype = nf90_int,     &
 453                             varID = NDots_XVarID ) )
 454     call check(nf90_put_att(ncFileID, NDots_XVarID, "long_name",   "Number of Dots along X-axis"))
 455
 456     call check(nf90_def_var(ncid = ncFileID, name = "ND_Y", xtype = nf90_int,     &
 457                             varID = NDots_YVarID ) )
 458     call check(nf90_put_att(ncFileID, NDots_YVarID, "long_name",   "Number of Dots along Y-axis"))
 459
 460     call check(nf90_def_var(ncid = ncFileID, name = "ND_Z", xtype = nf90_int,     &
 461                             varID = NDots_ZVarID ) )
 462     call check(nf90_put_att(ncFileID, NDots_ZVarID, "long_name",   "Number of Dots along Z-axis"))
 463
 464     call check(nf90_def_var(ncFileID, "A1", nf90_float, dimids = Dim3ID, varID = A1VarID) )
 465     call check(nf90_put_att(ncFileID, A1VarID, "long_name", "Vector A1 Superlattice"))
 466     call check(nf90_put_att(ncFileID, A1VarID, "units",     "Angstroms"))
 467
 468     call check(nf90_def_var(ncFileID, "A2", nf90_float, dimids = Dim3ID, varID = A2VarID) )
 469     call check(nf90_put_att(ncFileID, A2VarID, "long_name", "Vector A2 Superlattice"))
 470     call check(nf90_put_att(ncFileID, A2VarID, "units",     "Angstroms"))
 471
 472     call check(nf90_def_var(ncFileID, "A3", nf90_float, dimids = Dim3ID, varID = A3VarID) )
 473     call check(nf90_put_att(ncFileID, A3VarID, "long_name", "Vector A3 Superlattice"))
 474     call check(nf90_put_att(ncFileID, A3VarID, "units",     "Angstroms"))
 475
 476     call check(nf90_def_var(ncFileID, "DWL", nf90_float, varID = DWL_VarID))
 477
 478     SELECT CASE(ISHAPE)
 479       CASE(1)
 480         stitle="Shape: Truncated Cone. "
 481       CASE(2)
 482         stitle="Shape: Cap. "
 483     END SELECT
 484
 485     SELECT CASE(MTYPE)
 486       CASE(1) !! Isotropic Zincblende
 487         stitle="Material Type: Isotropic Zincblende. "//stitle
 488       CASE(2) !! Isotropic Wurtzite
 489         stitle="Material Type: Isotropic Wurtzite. "//stitle
 490       CASE(3) !! Anisotropic Wurtzite
 491         stitle="Material Type: Anisotropic Wurtzite. "//stitle
 492     END SELECT
 493
 494     ! Global attributes
 495     call check(nf90_put_att(ncFileID, nf90_global, "history", &
 496                        "NetCDF file"))
 497     stitle="Strain distribution. "//stitle
 498
 499     call check(nf90_put_att(ncFileID, nf90_global, "title", TRIM(stitle)))
 500
 501     call check(nf90_enddef(ncfileID))
 502
 503     call check(nf90_put_var(ncFileID, RbVarId, Rqd_Base ) )
 504     call check(nf90_put_var(ncFileID, RtVarId, Rqd_Top ) )
 505     call check(nf90_put_var(ncFileID, HdVarId, Hqd ) )
 506     call check(nf90_put_var(ncFileID, DWL_VarId, D*ZC ) )
 507     call check(nf90_put_var(ncFileID, NDots_XVarId, NMax_X-NMin_X+1 ) )
 508     call check(nf90_put_var(ncFileID, NDots_YVarId, NMax_Y-NMin_Y+1 ) )
 509     call check(nf90_put_var(ncFileID, NDots_ZVarId, NMax_Z-NMin_Z+1 ) )
 510     call check(nf90_put_var(ncFileID, A1VarId, A1_S ) )
 511     call check(nf90_put_var(ncFileID, A2VarId, A2_S ) )
 512     call check(nf90_put_var(ncFileID, A3VarId, A3_S ) )
 513
 514
 515     call check(nf90_redef(ncfileID))
 516
 517     RETURN
 518
 519   END SUBROUTINE NCPACK_INPUT_STR
 520
 521
 522 END MODULE NCPACK_STR
 523