| 開發人員: | J. Heyrovsky Institute Prague (38) | ||
| 價錢: | 免費 | ||
| 排名: | 0 | ||
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描述
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
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新功能
- 版本: 1
- 發佈日期:
- Target API level was decreased from 29 to 28. Therefore, the program has identical functionality on Android 10 as on previous versions.
價錢
- 今天: 免費
- 最小值: 免費
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開發人員
- J. Heyrovsky Institute Prague
- 平台: Android 應用程式 (38)
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其他資訊
- 版本: 1
- ID: com.openmolcas_arm
- 類別 :
Android 應用程式›工具 - OS:
Android 4.0 以上版本 - 大小:
14 Mb - 內容分級:
Everyone - Google Play 評分:
0 - 發佈日期:
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