votca/xtp: v2021-rc.1

• Main Authors: Jens, Christoph Junghans, Denis Andrienko, felipe zapata, Bjoern Baumeier, Joshua S Brown, Ruben Gerritsen, Nicolas Renaud, pmadhikar, Votca Bot, James Kirkpatrick, gtirimbo, rhalver, Majklikikik, Yuriy Khalak, Onur Caylak, Alexander Malafeev, Behnaz, floaltvater, JavierSijen, Codacy Badger
• Format: Software
• Language: unknown
• Published: 2021
• Subjects: Sphinx; Orca
• Online Access: https://zenodo.org/record/4444197; https://doi.org/10.5281/zenodo.4444197

G0W0 rpa energies are fixed in BSE (#383) Hqp part of BSE can be separate from QP range (#388) Fixed Cuda implementation (#391) Plain, linear, and Anderson mixing in evGW Use a general syntax to represent all QMPackages input (#318) Remove support for both Gaussian and NWChem (#318) Fixed executable...