Mobile Chemistry Portal

hosted by J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i.
(Department of Molecular Electrochemistry and Catalysis)

ICON-EDiT

Author

Gion Calzaferri

Homepage

All the information about the code is presented in the project homepage.

Source

Source code is available in the project homepage.

Reference

Reference for the code - please see the project homepage.
Included database files were extended using following reference:
Alvarez, S.: Tables of parameters for extended Hückel calculations, Universitat de Barcelona 1989.

Description & Use

ICON-EDiT performs extended Hückel calculations.

Quick start

Structure of a typical input is complicated. For input file creation it is recommended to use the inputc program which guides the user by dialogue. The inputc is executed as

inputc
(in Windows command line)

or

./inputc
(in Android shell).

The best choice is to create directly the cartesian coordinate file (.kar). It is ready to be submitted to the main program iconc:

 iconc < [input file].kar > [output file].out
(in Windows command line)

or

./iconc < [input file].kar > [output file].out
(in Android shell).

The resulting file appears in the same location.

Program status

The current package contains ICON-EDiT binaries of version `97 compiled for the particular hardware platforms.  

License

ICON-EDiT

The original source code is published under GPL v.2 in the homepage. This distribution is published as freeware at Mobile Chemistry Portal and Google Play Store with kind permission of Gion Calzaferri.

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.

MinGW

The Windows version contains few essential dynamic link libraries which are part of MinGW runtime.

Copyright (c) 2012 MinGW.org project

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice, this permission notice and the below disclaimer shall be included in all copies or substantial portions of the Software.

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.

X11-Basic

GUI of the Windows version was built using X11-Basic (by Markus Hoffmann) framework (GPL v.3). For correct functionality, SDL library (available under GNU LGPL license) is included in package.

Advanced Installer

The MSI installer for Windows was created using the Advanced Installer (Freeware edition).

Distribution

(A) Self-extracting installers with graphical user interface (recommended for most users)

Android (Google Play Store)	Windows (x86)

(B) Binaries and corresponding documentation (for advanced users)

Android up to 4.4 (Kitkat) (obsolete)

In case of your interest, please contact us by e-mail.

Android 5.0 (Lollipop) und later (position independent executables)

Windows version