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Achivx Partner
 
 
mobihf





mobihf
Version: 0.4

Platforms: Symbian OS, Series 60


Categories: Science & Education

Upload date: 12 Nov 10

Developer: V.Ganesh

License: Freeware

Downloads: 1166

File Size: 26 Kb
Download Free mobihf 



Rating: 2.3/5 (Total votes: 8)




  mobihf-Now it is possible to do an electronic structure calculation of small molecules on your mobile phone!
The script is mainly derived from PyQuante and quantumj. It expects input in a .inp file stored in your mobile phone. The format of this file is described with the following example:

2 - Number of atoms
h2 hf sto-3g - Title, level, basis
H 0.0 0.0 0.0 - atom symbol in Cartesian coordinates
H 1.0 0.0 0.0

Capabilities:

- Supports HF single point energy calculation at minimal basis set (STO-3G)
- Other basis can be easily added by modifying the script
- Currently supports only: H, C, N and O
- And well most importantly it runs on your mobile!
- C++ extension for evaluation of 2E integral (derived from cints PyQuante package, and suitably modified for symbian).
 
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If you got an error while installing Themes, Software or Games, please, read FAQ.
Requirements: PyS60
 

Supported operating systems: S60 1st Edition, S60 2nd Edition, S60 3rd Edition, S60 3rd Edition FP1, S60 3rd Edition FP2, S60 5th Edition
 
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Other Software by developer «V.Ganesh»:

mobimolmobimol
mobimol is a basic and simple visualizer meant for reading and displaying molecular geometry provided in XYZ format. The input for mobimol should be provided in a file ending with extension .xyz and should be stored in an accessible location on phone (i.e. either on C: - the internal phone memory or E: - the external flash card)

» show more

 

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If you noted an error or download link is broken, please, report it via this page or use comments.
 

mobihf is compatible with your device Nokia X5-01
 
 
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