mobihf for Symbian OS Free Download in Science & Education Tag

 
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mobihf

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mobihf
Version: 0.4
Platforms: Series 60, Symbian OS

Categories: Science & Education
Upload Date: 12 Nov 10
Developer: V.Ganesh
Distribution Type: Freeware
Downloads: 783
File Size: 26 Kb
Free Download mobihf 
  • Currently 2.45/5

Rating: 2.5/5 (Total votes: 11)


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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 Theme, Software or Game, please, read FAQ.

Requirements: PyS60
 

Other Symbian Freeware of Developer «V.Ganesh»:

mobimolmobimol
A basic and simple visualizer meant for reading and displaying molecular geometry provided in XYZ format

» show all

 
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Supported Operation 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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