* if movie-encoders are not found movie-maker should be disabled. If
  gif or mpeg encoders is not find, the appropriate format should be
  disabled also.

* change the width of FS frame

* Togl-1.7 uses now togl_ws.h (i.e. windodiwng system) where it is
   stated which windowing system we use (fix this for mac & cygwin)

* atomic color of forces

* xcConfigure: append 06 to CRYSTAL-95/98/03

* animgif vs. whirlgif and movie creation ...

* CRYSTAL06 DOS error: IS1 IS2 IS3 not defined...

* When I am looking at a structure in XCrysDen using the slab or distance color scheme, and then I choose "close" from the file menu, I get an error message that says 

can't set "colSh(slabrange_min)": invalid command name ".a0.f1.2.scmax" 
can't set "colSh(slabrange_min)": invalid command name ".a0.f1.2.scmax"
    while executing
"set colSh(slabrange_min) 0.00"
    (procedure "InitGlobalVar" line 181)
    invoked from within
"InitGlobalVar"
    (procedure "CloseCase" line 45)
    invoked from within
"CloseCase"

* saveState.tcl: apparently the default and not the current colors are
written to *.xcrysden file

* I wanted to let you know about a bug in XCrysDen.  When I display a property plane for a 2D grid, and then I click on the "Close" button in the Property-plane controls window, I always get this error message: 

Error: can't read "isoControl(isosurf)": no such element in array

If I click on "Details" in the error message window, it says

can't read "isoControl(isosurf)": no such element in array 
can't read "isoControl(isosurf)": no such element in array
    while executing
"set isoControl(close,isosurf)    $isoControl(isosurf)"
    (procedure "IsoControlCan" line 21)
    invoked from within
"IsoControlCan .iso2D 2"
    invoked from within
".iso2D.f3.can invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]" 
    (procedure "tk::ButtonUp" line 22)
    invoked from within
"tk::ButtonUp .iso2D.f3.can"
    (command bound to event)

This happens systematically every time I try to close that window, and then it doesn't close. 
  It does however close, without any error message, if I click on the box with an X in it in the upper right corner of the window.


* Hi
Im trying to set up XCRYSDEN to be able to create movies.
Im using CYGWIN, and the lines:
The lines

set xcMisc(mpeg_encode) /cygwin/usr/softwares/mpeg_encode/mpeg_encode
are properly set up in the customs_definitions file
Even when I load the animated.asxf example, I cannot press the ANIMATED GIF/MPEG>> button.
What can I do?


* I have a problem. When I plot a 2D grid in a xsf file using xcrysden, 
with black_brown_white color basis, it gives an error as below.
When ploting 3D data , or using other color basis, there is no problem.
What's wrong I may make? Thank you!

wanted integer, but got "COLORBASE_MONO" while executing xc_iso isoplane 
0 COLORBASE_MONO 0

* pwo2xsf.sh: ibrav=0, and celldm(1) = 0, the alat is determined by
the a lattice vector length: check this !!!

* Tone Kokalj: stdin in not correctly handled when more then one
option is specified: use the following recipe: if the last argument is
"-", then read from stdin

* james raynolds <jamesraynolds@yahoo.com>

I am trying to make an mpeg move from an animation
file (*.axsf) but the animation button is not
activated even though I have defined the mpeg_encode
variable in the .xcrysden/custom-definitions file.

The encode program that I'm trying to use is
mpeg2encode.  On my (mac) machine the full path name
is 
/opt/local/bin/mpeg2encode.

Any ideas?  


* How can I add more than one kind (radius and color) of dummy atom? (John Pask <pask1@llnl.gov>)

* support for gifsicle

* adopt also to use the gifsicle instead of whirlgif

* add MgB2 BXSF file

* Wed May 11 16:32:32 CEST 2005: labelling of k-points (P.Blaha)
  is more or less finished. 

* Pable de la Mora: checks his several FS bugs/notes (DONE)

* Nathalie Vast <nathalie.vast@polytechnique.fr> reported that
pwi2xsf.sh filter does not work with ibrav=12 and crystal coordinates

* update pwi2xsf.f for intermediate image 

* 
On Mon, Aug 23, 2004 at 12:45:24PM -0600, Jeff Hay wrote:
> I was wondering if you had any plans to make it easier to plot
> multiple MOs within XCrysDen, since even with the script it appears
> burdensome for users.  Since XCrysDen brings up the menu of the
> various MOs when it opens the cube file, it does not seem that it
> would be difficult to make the program scan through this list after
> it has plotted the information for the first MO using the same
> parameters.

* forces: new options added (not yet in scripting)

* coodinate system: new options added (not yet in scripting)

*
On Tue, May 18, 2004 at 11:20:26AM -0600, Enrique Batista wrote:
> Hi Anton,
>
> Is it possible to change the color of the axis (and labels) in the
> coordinate system? Through the menus of in .xcrysden/custom-definitions.


*
On Tue, May 18, 2004 at 08:06:08AM +0200, Alexander Hannemann wrote:
>
> Some other questions concerning the scripting also arose: I wanted
> to create movie frames with size 768 x 576 pixels but the system
> only created 768 x 768 frames when using the
> 'scripting::displayWindow resize 768 576' command inside the
> tcl-script Changing the mainWindow size via 'scripting::mainWindow
> maximize' or other sizes did not really help.  It seemed to me that
> generate X-display window gets the 'wrong' size. (FIXED)



* make a 101th atom (or 0th atom), which is a fake atom, there for the
  sake of visualizing a vector field. (DONE)

* .xcrysden scripts: the following sections should be moved after
  the creation of crystal-cells
# ------------------------------------------------------------------------
# BEGIN: Atomic-Labels/Fonts
# ------------------------------------------------------------------------


* customization for arrows(vectors): color and thickness (DONE)

* Xcrysden still refers to WIEN97, but nowadays it should be WIEN2k (or
	only WIEN). I think it should be rather trivial to change all "WIEN97"
	strings to WIEN2k in these tcl-files.


* patchs bz.tcl: include Peter's improvements

* PWscf: mpiexec can print the processor number at output, adopt
	 pwo2xsf.sh script

* CRYSTAL03 interface:
	+ 3D charge density: error reading unit-25 !!!
	+ check if Fermi energy is still $ftn25(X5) in unit25 (I think it is!!!)

* add more information to xcrysden's klist file

* Save-State-and-Structure: make the tests files

* More configurations in custom-definitions (i.e. radio(***),
check(***) arrays)

* H-bonds 2D-displaymode NOTES:
  -----------------------------
   1. the routine where the (coor + i)->are written is RewriteCoor
   (xcDisplayFunc2.c)
   
   2. the coor & zorient are malloced in MallocCoor (readstr.c)
   
   3. if you change the malloc call in MallocCoor then be carefull 
      when freeing the variables in remakestr.c & xcAppInit.c
      (instead of calling the xcFree call xcFreeNull(implement it). The
      xcFreeNull should be like xcFree, but should returned the (void*)NULL!!!
  END--------------------------

*. when loading the *.xcrysden files it takes long because there is
nan for bond-angle, check it !!!

* toggle-accelerators doesn't work


************************************************************************
************************************************************************
************************************************************************

0. ColorScheme: toplevel does not pop-up if we start from *.xcrysden file (DONE)

0. Do you want to enable the BABEL program ([y]es/[n]o): 
n
./xcConfigure[52]: 0652-141=:  not found.
./xcConfigure[52]: 0652-141=:  not found.
Do you want to enable image conversion program ([y]es/[n]o): 
n
./xcConfigure[52]: 0652-141=:  not found.
Do you want to enable whirlgif program ([y]es/[n]o): 
n
./xcConfigure[52]: 0652-141=:  not found.
Do you want to enable mpeg_encode program ([y]es/[n]o): 
n
./xcConfigure[52]: 0652-141=:  not found.
(DONE)

0. while in 3D box selection, the specular light on chem.struct
disappear (DONE).

0. Save current state and structure: rotation matrix is not correctly
loaded for lighting off mode (DONE)

0. Kunihiro Mitsutake reported problems with *.xcryden: atomic-names
in XSF not supported (fixed->0.9.2) (DONE)

0. update the state mechanism for "Save Current State and Structure" (DONE)

0. in Marching Cubes:
XCrySDen run-time error: allocation error in Marching Cubes
(DONE)

0. Moritz Hoesch: reported problem with custom round* functions since
they conflict with definition from math.h (DONE)

0. resolv BUG:

can't read "fs(,4,depthcuing)": no such element in array
    while executing
"if { $fs($spin,$i,$what) } {
	set fs($spin,$i,$what) 0
    } else {
    	set fs($spin,$i,$what) 1
    }"
    (procedure "FS_ToggleMenuCheckbutton" line 6)
    invoked from within
"FS_ToggleMenuCheckbutton depthcuing {} FS_DepthCuing"
    (command bound to event)

which is trigerred by keyypress "d"

SOLUTION: The solution would be to make the fs() array "counter"
dependent, since otherwise it is a mess !!!
------------------------------------------------------------------------

0. The datagrid are not cleared any more, check how this works with
   crystal properties!!!! (PARTY-OK, make a warning in the DOCs)

1. try to improve xctr.tcl, otherwise make a save option for
   rotation/zoom/displaymode

1. update LICENSE and LICENSE.academic files

3. for maximizeDisplay: fullscreen can be fullscreen,
   while maximize can be over the whole screen, but with the frame

DONE --------------------------------------------------------------------- DONE

0. when the forces are enormous, then switching from lighting-on to
   lighting-off mode enormously enlarges the molecule (DONE)

0. see file strange_rotation.xsf (the mouse rotation is very strange);
besides switching to lighting-off mode enormously enlarges the
structure (the problem are probably forces !!!) make rotation with
respect to chemical structure size, and not to whole structure size
!!! (DONE)

0. in selection mode, there is no depth-cuing (KEEP it like THAT!!!)

0. backspace-key for entries doesn't work !!! (have switched back to
default Tk bahaviour)


0. check periodic(dim) and wigner in saveStruct (wigner allowed only
for dim==3) (DONE)

0. update the xcConfigure_definition.sh file for PERPECTIVE myParam !!! (DONE)
0. update myParam for perspective parameters (DONE)
0. update myParam for the two new linewidths (then update the
custom.xml file of the documentation) (DONE)
0. update myParam for default atomic label font (DONE)

0. make a documentation for scriptingFilter.tcl file (DONE)

0. try to improve saveState to encapsulate the crystal_f9 datagrid
   support (idea: write the XSF file, and then put this file inside the
   *.xcrysden file) (DONE)

0. background is not save by saveState (DONE)


0. when loading xcrysden script, printing is nt possible -->
xcMisc(titlefile) does not exists !!! (DONE)

0. it is possible to can use the "p" accelerator to witch to perspective
   while in selection. this is not allowed (DONE)

0. filters for PWSCF, CRYSTAL, FHI98MD (DONE)

0. lighting-off + fog + coord.sistem does not work (DONE)

0. disable depth cuing for coordinate system !!! (DONE)

0. unibonds + ligting-off doesn't work (DONE)

0. perspective-projection: (gets clipped) (DONE)

0. coordinate system: work only unti one switches to perspective
   projection, and then goes blank (DONE)

3. for g98cube.tcl: welcome window does not disappear while the CUBE-->XSF
   window is up (DONE)

2. discrete rotation button option (DONE)

0. check all "set e [FillEntries ...]" constructs and correct the
   associated entries pathnames as done in glModParam.tcl 
   (DONE)

0. AdvGeom options of CRYSTALxx for 2D structures: 2D supercell is
   correctly displayed just from one side ... (DONE)

-1.) Startup(Init)_Error_Dialog (DONE)

-2.) scripting::zoom (also zooming in %-unit, i.e. 0.3 or 30%) (DONE)

5. Togl font + setting (DONE)

2. check PPM and xcMisc(ImageMagick.convert) (DONE)

4. expand options for isosurfaces (scripting interface) (DONE)
