here is an explanation of my commits:
* new "util" directory containing functionalities that I use a lot in my
crystal stuffs. It might be usefull for you to!?
Read a JTextField formated like "double, double, double" and
return an array of double. A dialog popups if the field is badly
Sparse a string containing special tokens in order to handle a
mix of Latin/Greek characters in normal or superscript position. =20
Conversion functions from VectMath to classic arrays as well as
other small functions
A class to nicely round float and double.
A class to handle units conversion.
* Classes to handle Band Diagrams (Energy Bands Diagrams, Phonon
EnergyBand.java : contains the data
BandPlot.java : defines the plot (how the plot looks like)
BandPlotRenderer.java : render the plot
BandPlotG2DRenderer.java : Graphics2D rendering
BandPlotEPSRenderer.java : Encapsulated PostScript rendering
BandPlotPanel.java : the JPanel to define the plot (see Extra-> Crystal
-> EnergyBand Tab). The usage of this new dialog might not be intuitive
and therefore I intend to write some users' doc in a near future. I
think also that you could ask yourself if this kind of feature has its
place inside Jmol. I think the answer is yes, even if it is not very
visible now, at this stage of developpement. In the future, I hope to
link the band plot=20
-with the visualization of the vibrational mode (in the case of phonon
dispersion curve) and=20
-with the visualization of the wave function isosurface (in the case of
electronic energy band plot and if a true java3d rendering engine is
Up to now, ABINITOutput.java reader can only read Energy Band Diagrams.
Phonon Dispersion Curves will follow. An ABINIT example file is
provided: Si_eband.out. This file contains 2 datasets. The energy band
data is located in dataset 2.
Something else out of topic:
I have also added a "Transform..." dialog in the View menu to rotate by
a given angle around a given axis.=20
Let me know what you think....
Fabian Dortu <fabian.dortu@...>