VESTA 3.3.0 has been released
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Koichi Momma
Jul 11, 2015, 10:34:40 PM7/11/15
to vesta-a...@googlegroups.com
Dear VESTA Users,
VESTA 3.3.0 is now available from
http://jp-minerals.org/vesta/
The most noteworthy new feature in this release is full support of magnetic space groups and magnetic symmetry operations. You can now create a new magnetic structural model by selecting one of 1651 magnetic space groups, or read magnetic data from CIF files. The built-in database of magnetic symmetry operations is taken from
http://stokes.byu.edu/iso/magneticspacegroups.php
Special thanks go to Dr. J. Manuel Perez-Mato and other members of Bilbao crystallographic server, who advised me how to implement these features. I would also like to express my gratitude to all of you who sent me feedback.
Because there are substantial changes in core source codes, old version of VESTA 3.2.1 is still available in case there is any regression.
Below is the full list of changes in this release.
==================================
* Full support of 1651 magnetic space groups.
* Added a list of recently opened files in the File menu.
* Enabled to generate additional symmetry operations when the transformation matrix changes the unit cell volume.
* Added output of (2 theta) and (I) in the Structure Factors dialog box.
* Enabled to read only positive or negative part of data in the *.pri, *.pgrid and *.ggrid.
* Further optimization of bond search algorithm.
* Fixed typo in spgra.dat, spgro.dat, and wyckoff.dat.
* Fixed a bug in orientation and positioning of multiple phases specified in the "Edit Data" dialog box.
* Fixed a bug that maximum indices of h, k, and l in the "Structure Factors" dialog box might be slightly smaller than the specified resolution.
* Updated a template file (*.ins) and script file of RIETAN-FP.
Sincerely,
Koichi Momma
--
Koichi Momma
National Museum of Nature and Science
4-1-1 Amakubo, Tsukuba, Ibaraki 305-0005, Japan
TEL: +81-(0)29-853-8163
FAX: +81-(0)29-853-8998
k-m...@kahaku.go.jp
vest...@gmail.com
VESTA 3.3.0 is now available from
http://jp-minerals.org/vesta/
The most noteworthy new feature in this release is full support of magnetic space groups and magnetic symmetry operations. You can now create a new magnetic structural model by selecting one of 1651 magnetic space groups, or read magnetic data from CIF files. The built-in database of magnetic symmetry operations is taken from
http://stokes.byu.edu/iso/magneticspacegroups.php
Special thanks go to Dr. J. Manuel Perez-Mato and other members of Bilbao crystallographic server, who advised me how to implement these features. I would also like to express my gratitude to all of you who sent me feedback.
Because there are substantial changes in core source codes, old version of VESTA 3.2.1 is still available in case there is any regression.
Below is the full list of changes in this release.
==================================
* Full support of 1651 magnetic space groups.
* Added a list of recently opened files in the File menu.
* Enabled to generate additional symmetry operations when the transformation matrix changes the unit cell volume.
* Added output of (2 theta) and (I) in the Structure Factors dialog box.
* Enabled to read only positive or negative part of data in the *.pri, *.pgrid and *.ggrid.
* Further optimization of bond search algorithm.
* Fixed typo in spgra.dat, spgro.dat, and wyckoff.dat.
* Fixed a bug in orientation and positioning of multiple phases specified in the "Edit Data" dialog box.
* Fixed a bug that maximum indices of h, k, and l in the "Structure Factors" dialog box might be slightly smaller than the specified resolution.
* Updated a template file (*.ins) and script file of RIETAN-FP.
Sincerely,
Koichi Momma
--
Koichi Momma
National Museum of Nature and Science
4-1-1 Amakubo, Tsukuba, Ibaraki 305-0005, Japan
TEL: +81-(0)29-853-8163
FAX: +81-(0)29-853-8998
k-m...@kahaku.go.jp
vest...@gmail.com
Koichi Momma
Jul 26, 2015, 12:17:37 AM7/26/15
to vesta-a...@googlegroups.com
Dear VESTA Users,
VESTA 3.3.1 is now available from
http://jp-minerals.org/vesta/
There is only one tiny change in this release.
* Enabled to output (2 theta) and (I) data in a text file exported from the Structure Factors dialog box.
VESTA 3.3.1 is now available from
http://jp-minerals.org/vesta/
There is only one tiny change in this release.
* Enabled to output (2 theta) and (I) data in a text file exported from the Structure Factors dialog box.
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