Software Open Access
Herbst, Michael F.;
Levitt, Antoine;
Cancès, Eric
<?xml version='1.0' encoding='UTF-8'?> <record xmlns="http://www.loc.gov/MARC21/slim"> <leader>00000nmm##2200000uu#4500</leader> <controlfield tag="005">20230818085648.0</controlfield> <datafield tag="500" ind1=" " ind2=" "> <subfield code="a">Cite this paper whenever you use DFTK.</subfield> </datafield> <controlfield tag="001">7759919</controlfield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="u">Inria Paris</subfield> <subfield code="a">Levitt, Antoine</subfield> </datafield> <datafield tag="700" ind1=" " ind2=" "> <subfield code="u">CERMICS, Ecole des Ponts</subfield> <subfield code="a">Cancès, Eric</subfield> </datafield> <datafield tag="856" ind1="4" ind2=" "> <subfield code="s">890240</subfield> <subfield code="z">md5:bd17f6e86224c80e1afc3cdce24559ec</subfield> <subfield code="u">https://zenodo.org/record/7759919/files/JuliaMolSim/DFTK.jl-v0.6.5.zip</subfield> </datafield> <datafield tag="542" ind1=" " ind2=" "> <subfield code="l">open</subfield> </datafield> <datafield tag="260" ind1=" " ind2=" "> <subfield code="c">2023-03-22</subfield> </datafield> <datafield tag="909" ind1="C" ind2="O"> <subfield code="p">software</subfield> <subfield code="o">oai:zenodo.org:7759919</subfield> </datafield> <datafield tag="100" ind1=" " ind2=" "> <subfield code="u">RWTH Aachen University</subfield> <subfield code="0">(orcid)0000-0003-0378-7921</subfield> <subfield code="a">Herbst, Michael F.</subfield> </datafield> <datafield tag="245" ind1=" " ind2=" "> <subfield code="a">DFTK: The Density-functional toolkit</subfield> </datafield> <datafield tag="540" ind1=" " ind2=" "> <subfield code="u">https://opensource.org/licenses/MIT</subfield> <subfield code="a">MIT License</subfield> </datafield> <datafield tag="650" ind1="1" ind2="7"> <subfield code="a">cc-by</subfield> <subfield code="2">opendefinition.org</subfield> </datafield> <datafield tag="520" ind1=" " ind2=" "> <subfield code="a">DFTK v0.6.5 <p><a href="https://github.com/JuliaMolSim/DFTK.jl/compare/v0.6.4...v0.6.5">Diff since v0.6.4</a></p> <p><strong>Closed issues:</strong></p> <ul> <li>Support ARM / aarch64 / "Apple silicon" M-series processors (#820)</li> <li>Julia Nightly tests failing (#826)</li> <li>Usage Support: Adding DFTK.jl to Matsci Discourse Community (#833)</li> </ul> <p><strong>Merged pull requests:</strong></p> <ul> <li>Non-linear core correction and pseudopotential density guess (#766) (@azadoks)</li> <li>Fixing some documentation layouts &amp; duplicate (#815) (@epolack)</li> <li>Model update constructor (#816) (@mfherbst)</li> <li>MPI Allreduce fallbacks for aarch64 support (#821) (@azadoks)</li> <li>Fix fast test execution (#827) (@epolack)</li> <li>Fix Hamiltonian application for nonstandard models (#829) (@antoine-levitt)</li> <li>Bump actions/checkout from 2 to 3 (#830) (@dependabot[bot])</li> <li>Bump codecov/codecov-action from 2 to 3 (#831) (@dependabot[bot])</li> <li>Fixing documentation links (#832) (@epolack)</li> <li>Update introductory resources and publications (#834) (@mfherbst)</li> </ul></subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="n">url</subfield> <subfield code="i">isSupplementTo</subfield> <subfield code="a">https://github.com/JuliaMolSim/DFTK.jl/tree/v0.6.5</subfield> </datafield> <datafield tag="773" ind1=" " ind2=" "> <subfield code="n">doi</subfield> <subfield code="i">isVersionOf</subfield> <subfield code="a">10.5281/zenodo.3541724</subfield> </datafield> <datafield tag="024" ind1=" " ind2=" "> <subfield code="a">10.5281/zenodo.7759919</subfield> <subfield code="2">doi</subfield> </datafield> <datafield tag="980" ind1=" " ind2=" "> <subfield code="a">software</subfield> </datafield> </record>
All versions | This version | |
---|---|---|
Views | 1,205 | 8 |
Downloads | 157 | 1 |
Data volume | 79.0 MB | 890.2 kB |
Unique views | 1,067 | 8 |
Unique downloads | 66 | 1 |