Overview

Request 560077 accepted

- Update to 1.2.0
* Support for the ORCA quantum chemistry package, thanks to
Dagmar Lenk, including input generation and output parsing
* Improved support for MO calculations, including orbitals with F,
G, H, and I angular momentum, thanks to Dagmar Lenk
and Albert DeFusco
* Support for exporting VRML models of atoms, bonds, surfaces,
and orbitals (e.g. for 3D printing), thanks to Ethan Pavolik
* Support for perceiving molecular symmetry on Mac and Linux using
the libmsym library1 (i.e., Properties -> Symmetry),
thanks to Marcus Johansson
* Updated links to the new Avogadro website3, manual4,
and discussion forum
* Fixed support for compiling with the Eigen3 library up to
version 3.2.8
* Improved support for space groups through spglib1
* Updated translations1, now including over 25 languages in
addition to English
* Fixed a bug downloading from the Protein Data Bank
* Fixed a bug fetching molecules from the network, including
the "chemical by name"
* Fixed a bug when naming molecules from the NIH chemical
resolver website
- drop avogadro-cmake-3.2.patch, arm-qreal-vs-double.patch (upstream)
- fix package group: Productivity/Scientific/Chemistry

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Request History
Klaus Kämpf's avatar

kwk created request

- Update to 1.2.0
* Support for the ORCA quantum chemistry package, thanks to
Dagmar Lenk, including input generation and output parsing
* Improved support for MO calculations, including orbitals with F,
G, H, and I angular momentum, thanks to Dagmar Lenk
and Albert DeFusco
* Support for exporting VRML models of atoms, bonds, surfaces,
and orbitals (e.g. for 3D printing), thanks to Ethan Pavolik
* Support for perceiving molecular symmetry on Mac and Linux using
the libmsym library1 (i.e., Properties -> Symmetry),
thanks to Marcus Johansson
* Updated links to the new Avogadro website3, manual4,
and discussion forum
* Fixed support for compiling with the Eigen3 library up to
version 3.2.8
* Improved support for space groups through spglib1
* Updated translations1, now including over 25 languages in
addition to English
* Fixed a bug downloading from the Protein Data Bank
* Fixed a bug fetching molecules from the network, including
the "chemical by name"
* Fixed a bug when naming molecules from the NIH chemical
resolver website
- drop avogadro-cmake-3.2.patch, arm-qreal-vs-double.patch (upstream)
- fix package group: Productivity/Scientific/Chemistry


Klaus Kämpf's avatar

kwk accepted request

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