HISTORY

Plans for future releases:
- add BURG_VECT in the .ddplot format
- check the .dd format - it is not saving correctly
- make a better resolutions of the formats (avoid segfaults)
- the color settings for atomic types is missing
- allow also drawing/filling using patterns

Known bugs to be fixed:
- segmentation fault during comparison of two plots if another is
  already plotted (hard to catch - probably variable range overflow)
- wrong projection when the projection vector is [0 0 number];
  now it seems to correctly project the displacements in the 
  xy plane but for the case above, all arrows are zero

Puzzles:
- when plotting the strained block in the unrelaxed view with inert atoms,
  there is a gap between the inert atoms and the unrelaxed active atoms.
  This is not an error because this way we plot the active atoms in the
  unrelaxed positions but the inert atoms are saved in the file in the
  positions that correspond to the long-range elastic field of the
  dislocation. 

Legend:
  "=" mean major upgrades
  "!" are unfinished (experimental) developments


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Add the release date | version 4.0 (!!! finally migrated to Qt4 !!!)

- added tags NUM_INERT and COOR_INERT into the .dd format

- corrected bug that appeared when selecting many files to plot (it always
  loaded fewer files than selected)

- added new option in .ddplot: "ZTolerance, 0.01" and the corresponding item
  in the main menu. Sometimes the atoms do not have exactly the same
  z-coordinates and yet we would like to assign them to the same z-layer so
  that they are plotted with the same color. This option allows one to choose
  the maximum difference of the z-coordinates of atoms that are assigned to the
  same z-layer.

- added new option in .ddplot: "DispComponent, none" - it allows to plot
  only atomic positions without arrows; this is done using 

- added a macro that allows for corrections when plottinf the edge components
  in a periodic BCC block that contains a screw dislocation along the
  z direction (! this is specific to the periodic BCC block)

- added export to .PLT

- corrected printing of the magnitudes of arrows - the text is not
  affected by scaling of the lengths of arrows

- no plotting of arrows of zero length (i.e. the messy dots)

- animation into a dynamic .gif done using export to .eps and
  significantly improved

- status bar made permanent (explicit in Qt4)

- magnitudes of relative displacements plotted along the arrows
  (i.e. they are rotated by the same angle as is the angle of the
  corresponding arrow)

- possibility of inputting the Burgers vector of the dislocation; this
  is necessary to plot the lengths of arrows correctly (their plotted 
  length must be the physical length modulo the Burgers vector). It is
  not clear what to do when the block contains more than 1 dislocation.

- when saving to .dd the program does not ask for the coordinate
  system if it has not been defined

- when exporting the program asks for the file name

- the coordinate system can now be set for all selected plots at once

- added moving forward and backward in the list of plots



November 11, 2009 | version 3.0

- added rotation about X, Y, Z by 90 deg

- added a correction for edge displacements in calcEdgeRelDisp() which
  ensures that the vector sum of the arrows is zero (it applies a correction
  when two atoms interact through the boundary of the periodic domain)

! started working on plotting the continuous dislocation density using
  the concept of the Nye tensor

! started working on export to EPS using the native Postscript

- fixed the problem that caused segfault when reading in the plot file. It
  was due to unitialized paintEPS (once it was true it crashed because feps
  was not open)

- if ddplot crashed on loading a plot file, do this (change roman to your
  name):
  rm /Users/roman/Library/Logs/CrashReporter/ddplot.crash.log

- fixed problem when running ddplot from Finder in Mac OS X. The Mac OS X
  appends automatically as the first argument the process serial number
  "-psn_". This is disregarded now.

- fixed settings of the plot - only that for the current plot is changed

- added reflections through XZ, YZ and XY planes

- flipping the block changed to 180 deg rotation about the three axes

- fixed bug that gave wrong nearest neighbors (counted from 0 instead of
  from 1)

- END_OF_LIST is changed from -1 to 0 because when nnlist is 
  automatically enlarged, it is filled with zeros and not -1

- fixed overflow when an atom has more neighbors than 10 (dynamic
  enlargement of nnlist)

- added the .xyz format of JMol for reading (see README for details)

- when the NeighRCut is smaller than the actual first neighbor distance
  it does not give allocation error but asks to increase NeighRCut in
  .ddplot

- fixed segfault when saving .xyz file from structure load in as a 
  BOP code (this was caused by accessing unallocated atomType 
  structure). This may be related to the segfault when comparing two
  structures.

- all dialog windows checked and cutting of text fields fixed
  under MacOS X

- fixed the problem with atomType - it now counts from 1

- fixed the problem with xyzMin in pltwin-func.cpp which caused on
  MacOS X nan when calculating the lower bounds of the block

- fixed bug that made it impossible to read in a block file directly
  from the command line

- thickness of arrows can also be applied either to the current 
  plot or to all selected plots

- magnification of arrows/symbols can also be applied either to
  the current plot or to all selected plots

- the menu item "Show inert atoms" can be checked and unchecked

- the structure can be plotted without automatically calculating
  the differential displacements (lengths of arrows). Then,
  the nearest neighbor list need not be automatically calculated
  and the plotting is much faster. This is accomplished by
  setting in .ddplot:  arrNeighbors,0  

= all static arrays are changed to dynamic arrays defined by
  the class TArray (derived types DVector, DMatrix, ...) and
  dynamic allocation is used instead of the static declaration
  of the size of these arrays

- fixed the positions of magnitudes of edge dislocations after
  zooming

- added a new feature that allows one to compare the DD maps
  from two plots and plot +/- between the atoms. The signs mean
  that the difference in arrow lengths is either positive (+)
  or negative (-) where the size of the sign says how much.
  The only requirements are:
     * identical number of atoms in the two plots
     * identical neighbor lists (i.e. compatible structures)
  It means that we can compare the same blocks for different
  metals, e.g. Mo and W, because the only difference is the
  lattice parameter and not the crystal structure.
  This comparison can be done for both edge and screw components.

- scaling of arrows in the edge view is also precomputed
  in advance - see calcEdgeScaling().

- the scaling of arrows in the screw view is now precomputed
  in advance and is not calculated over and over during each plot.
  This is done in function calcScrewScaling().

- the nearest neighbor list is now unidirectional in that it
  stores only the neighbors (i,j) where j>i. This saves a lot
  of time when plotting the arrows (no need to check is the
  arrow is already plotted).


October 28, 2005 | version 2.5

- no error about MAX_NEIGHBOR occurs when NeighRCut is too large
  for a plot - instead ddplot asks user to input a smaller
  cut-off radius for the plot to be displayed

- ddplot can display the coordinate system of the block (Ctrl+C),
  several bugs related to the transformation of coordinates
  corrected

- when started in the verbose mode 'ddplot -v', ddplot will show
  where in the code an error has occurred (the line starts with
  an exclamation mark '!')


September 5, 2005 | version 2.4

- ddplot can be called as 'ddplot -v' to switch on the verbose
  mode in which extensive information is echoed in the terminal
  window

- it is possible to select particular Z-layer(s) for which the
  differential displacements are to be plotted

- magnitudes of differential displacements are printed also for
  edge dislocations

- flipping the picture about X, Y or Z axis

- neighbors are now searched using the linked neighbor list. The
  same holds for the RDF => the time to plot the structure 
  decreased tremendously for large blocks.

- fixed wrong plotting of the atomic numbers (used to be numbered
  from 0, now from 1)

- fixed the wrong calculation of the RDF - it is now fully 3-D

- added support for blocks which contain many z-layers, not only
  three. When the block contains many z-layers, hit "Z" to see
  a small inset showing all z-layers in the block and also
  those which are currently considered for plotting relative
  displacements). The full plot of all atoms in the block
  can be invoked by choosing the corresponding item from menu.

- bounding box fixed - it is read using gs and replaced in the
  generated PS file.

- correct identification of the same layer if the z-coordinate
  for two atoms is not exactly the same number - the tolerance
  is 1e-4 - e.g. atoms with z-coordinates 0.4999 and 0.5 are
  regarded to lie in the same layer. This makes sure that the
  plot does not contain a bunch of differently colored atoms.

- plotting of grain boundaries - automatically recognized that
  the .PLT file contains a grain boundary data and shows the 
  grain boundary as a line

- plotting of inert atoms (if the SBOP block is read in). If the
  inert atoms are somehow shifted from their expected positions,
  probably the block is in the old format of BOP (LEN corresponds
  to the real size of the block / lattice parameter and not to
  the periodicity along the three axes) 

- can read directly the block of BOP (e.g. block.out) - just
  change the wildcard at the bottom of the Open file dialog and
  find the block(s) you wish to display

- information about the relaxation of the block which is inserted
  at the end of the .PLT file can now be displayed directly in
  ddplot (no editing allowed)


December 11, 2004 | version 2.3

- ddplot has can now read and save the plot file in a special
  .dd format which will (in future) include all important
  information about the block - orientation,
  periodicity, information about the default view (screw/edge
  components, etc.). 

- specification of the coordinate system of the block (this will be
  needed for different coordinate transformations like rotating
  the block, flipping, etc.)

- resizing of the plotting area by dragging the window added

- added progress bar when loading plots into the program - the
  process can be stopped anytime a user desires

- correct plotting od edge displacements - the length of an arrow
  corresponds to relative displacement between the two atoms in 
  the plane of the figure. If the relative displacement in any
  direction is larger than 1/2*periodicity in this direction,
  the length of the arrow is set to the relative displacement
  modulo (1/2*periodicity)

- wrong assignment of colors and line thickness for blocks with many
  layers fixed. This problem appeared when the number of layers in the
  block was larger than the number of specified colors (e.g. in
  the .ddplot file)

- plotting of the traces of the planes in the zone of the
  perpendicular axis added. This is very useful when we need
  to decide under which angle the dislocation glided.


September 29, 2004 | version 2.2

- the error caused by closing a widget which is currently being
  painted in fixed - p->end(); at the end of paintEvent removed
  this bug

- changed settings under "Operations" and "Appearance" is applied
  to all selected widgets

- fixed major bug that caused segfaults on MacOS X - two functions
  drawIt and printIt added instead of using one paintEvent

- SetAtomStyle is now written such that it takes its appearance
  from the datomstyle.ui and it no longer has two constructors -
  one SetAtomStyle::SetAtomStyle (overloaded) and 
  DAtomStyle::DAtomStyle (the original one)
- porting to MacOS 10.2+ started


July 30, 2004  | version 2.1

- Fixed the bug that caused freezing when user opened a file
  (it was caused by having WFlags f=WShowModal in the explicit
  constructor QPlotWidget::QPlotWidget)

- Dialog for selecting plots

- Animation file contains only those plots that are selected

- Dialog for setup up the animation process in ImageMagick


May 17, 2004  | version 2.0.002

- Menu items are correctly checked also after reading the settings
  from the .ddplot file

- In the dialog window for changing the appearance of arrows,
  the button OK is made default


May 14, 2004  |  version 2.0.001

- Menu items are made invisible is they cannot be currently used

- Menu items can now be checked and unchecked

- Status bar is correctly repainted after changing the factor for
  scaling displacements

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Undocumented "prehistoric" releases

- User settings can be stored in $HOME/.ddplot - after the start of
  ddplot, it automatically looks for this file. If it does not exist,
  the default settings will be used.