OPENMOLCAS (x86_64)

IMPORTANT! THIS VERSION CAN BE RUN ONLY IN X86_64-POWERED DEVICES. Authors of the code: The OpenMolcas Authors, please check the author page. https://gitlab.com/Molcas/OpenMolcas/blob/master/CONTRIBUTORS.md Homepage: The project is located at GitLab. https://gitlab.com/Molcas/OpenMolcas Source: Source code is available in the homepage. https://gitlab.com/Molcas/OpenMolcas Reference: Molcas 8: J. Comput. Chem. 37 (2016) 506-541. DOI: 10.1002/jcc.24221 Molcas 7: J. Comput. Chem. 31 (2010) 224-247. DOI: 10.1002/jcc.21318 Molcas 6: Comput. Mat. Sci. 28 (2003) 222-239. DOI: 10.1016/S0927-0256(03)00109-5 Code development: Wiley Interdiscip. Rev. Comput. Mol. Sci. 3 (2013) 143-149. DOI: 10.1002/wcms.1117; Int. J. Quantum Chem. 100 (2004) 626-635. DOI: 10.1002/qua.20166 Latest reference (cited 15.12.2019): "OpenMolcas: From Source Code to Insight." J. Chem. Theory Comput. 15 (2019) 5925-5964. DOI: 10.1021/acs.jctc.9b00532 Description & Use: OpenMolcas is a general purpose molecular electronic structure computational program which utilizes multiconfigurational approach as the key-feature. Quick start: check the included manuals Program status: The current package contains OpenMolcas binaries of a version issued within year 2019 compiled for the particular Android hardware platforms and adapted for running in in generic, stock devices under terminal environment of TermOnePlus. The app requires permission to access the file-storage. It works completely offline and does not contain ads. License: The distribution is published for free at Mobile Chemistry Portal and Google Play Store with kind permission of Roland Lindh. For more details on licenses of used software, please check the included README file and the corresponding license files inside of the package. Acknowledgement: TermOnePlus project (Roumen Petrov) and Terminal Emulator (Jack Palevich) https://play.google.com/store/apps/details?id=com.termoneplus https://play.google.com/store/apps/details?id=jackpal.androidterm Contact: Compilation of the source code for Android/Windows as well as the Android/Windows app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic. Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm