速報APP / 工具 / MOPAC

MOPAC

價格:免費

更新日期:2019-05-13

檔案大小:8.7M

目前版本:1.0

版本需求:Android 4.0.3 以上版本

官方網站:http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm

Email:alan.liska@jh-inst.cas.cz

MOPAC(圖1)-速報App

Author of the code: James J.P. Stewart

Homepage: The official website of MOPAC® is maintained by Stewart Computational Chemistry.

http://openmopac.net/

Source: The official sources (up to MOPAC 7.1) are available in the official website.

http://openmopac.net/

More recent versions (MOPAC2007, MOPAC2009, MOPAC2012, MOPAC2016) are not open-source. There is plenty of other sites which distribute some flavour of MOPAC - CCL archives, funet archives, SourceForge, GitHub etc.

http://www.ccl.net/cca/software/MS-DOS/mopac_for_dos/index.shtml http://www.nic.funet.fi/pub/sci/chem/qcpe/mopac6.0/ https://sourceforge.net/projects/mopac7/ https://github.com/metapfhor/MOPAC

Reference: Stewart, James J.P., Journal of computer-aided molecular design 4(1) (1990) 1-103.

Description & Use:

MOPAC(圖2)-速報App

MOPAC is one of the most favourite and well-known semiempirical packages which enables MNDO, MINDO/3, AM1 and PM3 calculations.

Quick start: check the included manuals

Program status:

The current package contains MOPAC 7 binaries of primary version 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 distribution is published as freeware at Mobile Chemistry Portal and Google Play Store with kind permission of James Stewart. We are also grateful to metapfhor (GitHub, https://github.com/metapfhor/MOPAC) for ready-to-compilation form of MOPAC 7 source code.

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