2.3.1-alpha

fix types for numpy int float deprecation

HORTON 2.3.0

Updated to Python 3!

Now builds with Conda.

What's Changed

• Get rid of horton.matrix by @tovrstra in #256
• Strip CIF load and dump by @tovrstra in #264
• Remove some more matrix things from setup.py by @tovrstra in #265
• Remove useless code that confuses cython 0.26 by @tovrstra in #268
• removed requirement for print statements by @matt-chan in #267
• Get rid of unused int1d by @tovrstra in #269
• fixed npy and npz checking by @matt-chan in #273
• Fix forgotten exp_ to orb_ rename by @tovrstra in #275
• Switch to libxc3 by @tovrstra in #276
• Update libxc citation by @susilehtola in #290
• Update libxc link in install_libxc-3.0.0.sh by @kzinovjev in #292

New Contributors

• @susilehtola made their first contribution in #290
• @kzinovjev made their first contribution in #292

Full Changelog: 2.1.0...2.3.0

HORTON 2.1.1

Fix compilation with Cython 0.28.*

HORTON 2.1.0

Merge pull request #263 from tovrstra/fix_install_sophie

Fix install sophie

HORTON 2.1.0b3

Merge pull request #255 from tovrstra/prepare_2.1.0b3

Prepare 2.1.0b3

HORTON 2.0.2

Update release history

HORTON 2.1.0b1

Update to version 2.1.0b1

HORTON 2.0.1

• QA framework for automatically testing pull requests on Github with Travis-CI.
• Update config files for recent OSX, Ubuntu Linux and Fedora Linux versions.
• Fix: contractions of Gaussian functions are normalized when creating new basis sets. (When loading wavefunctions from files that also contain a description of the basis set, the contractions are not renormalized for the sake of consistency.)
• Fix: The numerical Poisson solver now also computes the correct asymptotics in the limit of small radii.
• Fix: The two methods to project orbitals onto new basis sets (in horton/meanfield/project.py) contained mistakes, which are now fixed.
• Fix: Several unit tests using random data ocassionally failed, which is now fixed.
• Many small bug fixes and corrections.

HORTON 2.0.0

HORTON 2.0.0

Horton celebrating Saint Patrick's Day

1.2.1

Update h5py version dependency