Wow, has it really been almost 2 years? I switched to a management job. Fixed some bugs involved in making sure the cython routines work with py 3.7. Had to rebuild the bindings. Also pushing a mac version of pyquante2-2.0-py3.7 to the conda.org cloud.
27 Jun 2017
GVB works for H2.
2 Jun 2017
There is a new module scf/mcscf that contains GVB. GVB itself doesn’t work (yet), but the general ROHF does using ROTION/OCBSE.
The Matplotlib Quantum Circuit Plotting notebook has a very lightweight toolset for plotting quantum circuits with Python/Matplotlib that also works with Jupyter notebooks.
The pure python branch of pyquante2 is now called “pure”.
There are pyquante2_pure conda builds for all platforms on https://anaconda.org/rpmuller/pyquante2_pure.
There are compiled pyquante2 conda builds for linux/mac on https://anaconda.org/rpmuller/pyquante2
Conda rocks!
12 Apr 2017
There is a pyquante2.0_pure branch that is pure python, for those without a compiler.
3 Mar 2017
Updating documentation for the sympy quantum circuit tools
Has it really been 2 years?!
3 Apr 2015
ROHF works in pyquante2
30 Mar 2015
LDA works in pyquante2
22 Mar 2015
MayaVi display of DFT density and molecules added to pyquante2
21 Jun 2014
Very trivial PyQuante function now works in Julia
10 Apr 2014
Added a preliminary zmatrix utility to pyquante2
14 Aug 2013
Qasm parser was merged into sympy master
13 Aug 2013
Fixing end-of-line whitespace
11 Aug 2013
More tests for qasm parser
9 Aug 2013
Added tests for Qasm parser
8 Aug 2013
Got the labelled/initialized gates to work.
Initiated pull request for the Qasm parser.
7 Aug 2013
Tried to handle QASM commands like “qubit q0,0”, failed
6 Aug 2013
Added a two-electron Hylleraas code to pyquante2/hylleraas/helios.py
5 Aug 2013
Working on a better division between the scf iterators and Hamiltonians. Want to be able to mix and match more,
so that I can combine any iterator with any Hamiltonian. Probably not possible, but any movement in this
direction would be good.
4 Aug 2013
The pyquante2 test suite now runs under python 2.7 and python 3.3!
3 Aug 2013
Updated to py3 style print statements in qasm module.
2 Aug 2013
Rebased Sympy qasm_parser branch against master.
1 Aug 2013
Qasm now properly parses quoted gate symbols in def statements.
Qasm now also parses controlled gate def statements.