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

 























  CINDO

Authors

Sridhar Sahu, Alok Shukla

Homepage

The project is hosted at Computer Physics Communications Program Library (search for keyword „cindo“ or type the name „AECN_v1_0“). Modified parts are published by Aoyama Iwao in his Github repository.  

Source

The official source code is available in Computer Physics Communications Program Library (keyword: CINDO or AECN_v1_0). Useful modifications which help when compiling for Windows platform posted by Aoyama Iwao are available in his Github repository. 

Reference

Sridhar Sahu, Alok Shukla: Fortran 90 implementation of the Hartree–Fock approach within the CNDO/2 and INDO models, Computer Physics Communications 180(5) 2009, 724-734.

Description & Use

CINDO enables performing CNDO/2 and INDO calculations of species containing elements from the first to third period. Apart from the standard output it contains several other facilities such as generating custom orbital / spectrum datasheets.

Quick start

A typical input file contains answers to the original version prompts:

[total number of atoms]
[proton number of atom 1] [proton number of atom 2] ...
[x] [y] [z] (for the first atom)
[x] [y] [z] (for the second atom)
...
[CNDO / INDO]
[RHF / UHF]
[overall charge]
[convergence threshold, max.iterations] (e.g. 1.d-7,100)
[DAMP / NODAMP]
MULLIK
[ORBPLT / DENPLT / BOTHPLT / NOPLT]
[further keywords...]
[DIPOLE / NODIPOLE]
OPTICS
[frequency step, min., max. freq. range, line width of the excited states]
(e.g. 0.25,0.0,10.d0,0.01,1.d0)
(blank line)
(blank line)
(blank line)
(blank line)

For more details, please check the included manual and example file.

The input file is saved as FOR005 to the folder where the CINDO executable is present.

Use in command line / shell:

cindo (in Windows command line)

or

./cindo (in Android shell).

The resulting output file(s) will appear in the same location.

Program status

The current package contains CINDO binaries of primary version compiled for the particular hardware platforms.  

License

CINDO

The distribution of CINDO binaries is published for free (under GPL v.3) at Mobile Chemistry Portal and Google Play Store with kind permission of Alok Shukla under the condition that you will cite the original reference paper (Sridhar Sahu, Alok Shukla: Fortran 90 implementation of the Hartree–Fock approach within the CNDO/2 and INDO models, Computer Physics Communications 180(5) 2009, 724-734.) in case of obtaining some results for publication purposes. By downloading, installing and using the program you automatically comply with this condition and are fully responsible for keeping the copyright rules. The included manual file was taken from the official source code distribution.

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.

BLAS

CINDO binaries for Android offered by us were statically linked to BLAS library (freely-available software package, available in the homepage). The Windows package contains the corresponding dynamic library.

LAPACK

CINDO binaries for Android offered by us were statically linked to LAPACK library (released under modified BSD license, check the homepage for details). The Windows package contains the corresponding dynamic library.

X11-Basic

GUI of the Windows version was built using X11-Basic (by Markus Hoffmann) framework. 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)

aarch64 arm x86 x86_64

Windows version

x86