Vladimir
Vladimir
NO_CONTENT_204 response has no content. There is no need to call function self.parse_proxy_response(response) in that case, just return Response(status=204).
Hello nwchem developers I found that https://github.com/quantumlib/OpenFermion project allows to make calculations on quantum computing and it can be very fruitful. Implementation of quantum computer algorithms requires some classical outer...
Hello OpenFermion developers I need the method (can contribute code) for generation of initial amplitudes for UCCSD from MP2 amplitudes as formula is well known. I do not quite understand...
Hello Rick I am writing a package for quantum chemical calculations using the Monte Carlo method with python3 and [numba](https://numba.pydata.org/numba-doc/latest/user/5minguide.html) While I work in the local repository, I noticed that...
Hello abipy developers. abipy compatible with pymathgenget_ax3d_fig and get_ax_fig_plt->get_ax_fig plus no longer return plt https://pymatgen.org/CHANGES.html#v2023925 Best Vladimir.
Hello PSI4 developers. [CASINO](https://en.wikipedia.org/wiki/CASINO) is well known program for performing quantum Monte Carlo (QMC) electronic structure calculations. Third-party codes are required to generate trial wave function. Support for Gaussian basis...
Hello sphericart developers. I need Numba binding of your library. I think it is not difficult to implement. the implementation is similar to https://github.com/Konjkov/pycasino/blob/sphericart/casino/harmonics_new.py Vladimir.
Hello pyEQL developers, I wrote a code that calculates the solubility of NaCl at different temperatures: ``` #!/usr/bin/env python3 from math import exp, sqrt, nan import periodictable from pyEQL import...