![]() ![]() ![]() Why does it feel like you are so eager to go back ? Don't you love me anymore? Why are you leaving? Why are you leaving? Why are you leaving? Why are you leaving! I don't care as long as we can be together~ You may feel sudden, but it doesn't matter. Let's take a selfie first, It will last longer~ How is that? Are you happy? That way we can stay together all the time! I know you also want to be with me every day, so I let you to come to our sweet home~ I want to keep you with me every day, and live with you every day~ The new ASE-3.0 Sphinx page is now up and running! ()Ī beta version of the new ASE-3.Every day, you will come to see me, help me with chores, cook for me, and buy me gifts. 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 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 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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