Welcome Sébastien :) On Wed, 28 Sept 2022 at 18:30, Sébastien Le Roux < sebastien.ler...@ipcms.unistra.fr> wrote:
> Dear all, > my name is Sébastien Le Roux, I just join the mailing list today. > I am a computational material scientist, > my work can be separated in two parts: studying the physico-chemical > properties > of materials using computational/theoretical methods, and developing tools > to help > scientists in this field of expertise. > I am the author of several open source programs, so far none being > packaged > by Fedora, but I recently released a new software named 'Atomes' and I > would > like to propose Atomes for packaging, and then providing that it can be > packaged > maintain it. > > Atomes is a Free (Open Source) cross-platform toolbox developed to > analyze, > to visualize and to create/edit three-dimensional atomistic models. > Among the possibilities offered by Atomes: > > - Analysis of 3D atomistic model: neutron and x-rays diffraction, > rings statistics, chain statistics, bond order, MSD ... > - Visualization: measures, coordination polyhedras, advanced coloring, > advanced design > - Edition: molecular library, crystal builder, cell edition, surface > creation and passivation ... > - Molecular Dynamics input preparation systems: > - Classical MD: DLPOLY > <https://www.scd.stfc.ac.uk/Pages/DL_POLY.aspx> and LAMMPS > <https://lammps.sandia.gov/> > - ab-initio MD: CPMD <http://www.cpmd.org> and CP2K > <http://cp2k.berlios.de> > - QM-MM MD: CPMD <http://www.cpmd.org> and CP2K > <http://cp2k.berlios.de> > > > More info about me here: https://www.ipcms.fr/sebastien-le-roux/ > More information about Atomes here: https://atomes.ipcms.fr/ > > So hello world ;-) > > Best regards. > > Sébastien Le Roux > > PS: using Fedora since FC2 > > -- > =========================================================== > Dr. Sébastien Le Roux > Ingénieur de Recherche CNRS > Institut de Physique et Chimie des Matériaux de Strasbourg > Département des Matériaux Organiques > 23, rue du Loess > BP 43 > F-67034 Strasbourg Cedex 2, France > E-mail: sebastien.ler...@ipcms.unistra.fr > Webpage: https://www.ipcms.fr/sebastien-le-roux/ > ATOMES project: https://atomes.ipcms.fr/ > RINGS project: http://rings-code.sourceforge.net/ > ISAACS project: http://isaacs.sourceforge.net/ > Fax: +33 3 88 10 72 46 > Phone: +33 3 88 10 71 58 > =========================================================== > > _______________________________________________ > devel mailing list -- devel@lists.fedoraproject.org > To unsubscribe send an email to devel-le...@lists.fedoraproject.org > Fedora Code of Conduct: > https://docs.fedoraproject.org/en-US/project/code-of-conduct/ > List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines > List Archives: > https://lists.fedoraproject.org/archives/list/devel@lists.fedoraproject.org > Do not reply to spam, report it: > https://pagure.io/fedora-infrastructure/new_issue >
_______________________________________________ devel mailing list -- devel@lists.fedoraproject.org To unsubscribe send an email to devel-le...@lists.fedoraproject.org Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/ List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines List Archives: https://lists.fedoraproject.org/archives/list/devel@lists.fedoraproject.org Do not reply to spam, report it: https://pagure.io/fedora-infrastructure/new_issue
