The new ASE-3.0 Sphinx page is now up and running! ()Ī beta version of the new ASE-3. Ten people fromĬAMd/Cinf will do a “doc-sprint” from 9 to 16. Thursday April 24 will be ASE documentation-day. Possibility to calculate Infrared intensities (13ĪSE version 3.0.0 released (13 November 2008).Īsap version 3.0.2 released (15 October 2008).Īn experimental abinit interface released (9 June 2008). Improved ase.vibrations module: More accurate and The following steps are used in installation of Atom on MacOS. Teletype for Atom makes collaborating on code just. Great things happen when developers work togetherfrom teaching and sharing knowledge to building better software. A hackable text editor for the 21st Century. Other platforms Try Atom Beta Try Atom Nightly. The source code is now on (18 September 2015).ĪSE version 3.9.1 released (21 Juli 2015).ĪSE version 3.8.0 released (22 October 2013).ĪSE version 3.6.0 released (24 February 2012).ĪSE version 3.5.0 released (13 April 2011).ĪSE version 3.4.1 released (11 August 2010).ĪSE version 3.4 released (23 April 2010).ĪSE version 3.3 released (11 January 2010).ĪSE version 3.2 released (4 September 2009).ĪSE has reached revision 1000 (16 July 2009).ĪSE version 3.1.0 released (27 March 2009). Download By downloading, you agree to the Terms and Conditions. Web-page now uses the Read the Docs Sphinx Theme (20 February 2016). The Atomic Simulation Environment | A Python library for working withĪSE version 3.13.0 released (7 February 2017).ĪSE version 3.12.0 released (24 October 2016).ĪSE version 3.10.0 released (17 March 2016). get_potential_energy () -31.492847800329216 Supported Calculators ¶ĪCE-Molecule amber DeePMD-kit DMol³ Gaussian Grimme DFT-D3 gulp Mopac qmmm tip3p ~deMon-NanoĪSE version 3.22.1 released (1 December 2021).ĪSE version 3.22.0 released (24 June 2021).ĪSE version 3.21.1 released (24 January 2021).ĪSE version 3.21.0 released (18 January 2021). calc = NWChem ( xc = 'PBE' ) > opt = BFGS ( h2 ) > opt. # Example: structure optimization of hydrogen molecule > from ase import Atoms > from ase.optimize import BFGS > from import NWChem > from ase.io import write > h2 = Atoms ( 'H2'.
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