價格：免費
更新日期：2019-05-13
檔案大小：13M
目前版本：1.0
版本需求：Android 4.0 以上版本
官方網站：http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm
Email：alan.liska@jh-inst.cas.cz
Author of the code: Petros Souvatzis
Homepage: The project homepage contains the sources, binaries (Windows, Mac OS X), manuals and lots of other usefull stuff. The project is located at GitHub as well.
http://www.uquantchem.com/uquantchem.html https://github.com/petrossou/uquantchem
Source: Source code is available in the project homepage and at GitHub.
http://www.uquantchem.com/uquantchem.html https://github.com/petrossou/uquantchem
Reference: Souvatzis, P., Computer Physics Communications 185(1) (2014) 415-421.
Description & Use:
UQUANTCHEM offers wide computational methodology possibilities from ab initio through DFT, perturbation theory up to molecular dynamics. Both single point and geometry optimization procedures are available.
Quick start: check the included manuals
Program status:
The current package contains UQUANTCHEM binaries of version V.35 compiled for the particular Android hardware platforms and adapted for running in a generic, stock devices. The app requires permission to access the file-storage. It works completely offline and does not contain ads.
License:
The original source code is published under GPL v.3 in the homepage. This distribution is published as freeware at Mobile Chemistry Portal and Google Play Store with kind permission of Petros Souvatzis.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
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