Chemsoft's GUIs for Quantum Chemistry
||2nd July 2010|| compose and run a job with Firefly under Windows||Gameix
||5th May 2011 || compose and run a job with Gamess-US under Linux
||10th May 2011|| compose and run a job with WinGamess/Gamess-Cygwin under Windows|
||14th May 2011|| compose and run a job with gamess.32/.64 under native Windows|
||18th December 2011|| compute and visualize atomic orbitals to Z=120|
The scripts have a graphical user interface (GUI)
for easy input, and offer graphical visualization of results either within the scripts or by (transparently) calling external programs which can be downloaded for free from the Internet.
can be requested from Mark Gordon
's group at the Ames Laboratory
hosted by Iowa State University. It is normally downloaded as source (for compilation see left) but can be obtained in several precompiled varieties.
is derived from Gamess-US but is now independent. It is developed by Alex A. Granovsky
, Lomonosov State University, Moscow. This modern program runs on Windows, Linux/Unix, supercomputers; refer to here
Scripts for automatic Compilation:
20th December 2013 ( 1 MAY 2013 (R1)), compile automatically and run Gamess on Linux and Cygwin
| Raspberry Pi
21th December 2013, compile and run current Gamess on Raspberry Pi NEW|
11th June 2013, compile and run CPMD automatically on live Linux |
CPMD can be obtained from the CPMD consortium. After registration you may download cpmd-X.XX_X.tar.gz, the current release of the Car-Parrinello molecular dynamics source code.