MDANSE tagshttps://code.ill.fr/scientific-software/mdanse/-/tags2020-04-22T09:57:15+02:00https://code.ill.fr/scientific-software/mdanse/-/tags/1.4.01.4.0<ul data-sourcepos="1:1-12:49" dir="auto">
<li data-sourcepos="1:1-1:122">FIXED issue <a href="/scientific-software/mdanse/-/issues/56" data-reference-type="issue" data-original="#56" data-link="false" data-link-reference="false" data-project="29" data-issue="1004" data-project-path="scientific-software/mdanse" data-iid="56" data-issue-type="issue" data-container="body" data-placement="top" title="Layout on Windows differs from macOS and Linux" class="gfm gfm-issue">#56</a> Layout on Windows differed from macOS and Linux (we keep Windows Layout: "Data" on top, "Plugins" below)</li>
<li data-sourcepos="2:1-2:141">FIXED issue <a href="/scientific-software/mdanse/-/issues/55" data-reference-type="issue" data-original="#55" data-link="false" data-link-reference="false" data-project="29" data-issue="1003" data-project-path="scientific-software/mdanse" data-iid="55" data-issue-type="issue" data-container="body" data-placement="top" title="Plotter issues" class="gfm gfm-issue">#55</a> Plotter (1D, 2D, Plotter, NetCDF Plotter) had several issues (see <a href="https://code.ill.fr/scientific-software/mdanse/issues/55" data-reference-type="issue" data-original="https://code.ill.fr/scientific-software/mdanse/issues/55" data-link="false" data-link-reference="true" data-project="29" data-issue="1003" data-project-path="scientific-software/mdanse" data-iid="55" data-issue-type="issue" data-container="body" data-placement="top" title="Plotter issues" class="gfm gfm-issue">#55</a>)</li>
<li data-sourcepos="3:1-3:101">FIXED issue <a href="/scientific-software/mdanse/-/issues/54" data-reference-type="issue" data-original="#54" data-link="false" data-link-reference="false" data-project="29" data-issue="1002" data-project-path="scientific-software/mdanse" data-iid="54" data-issue-type="issue" data-container="body" data-placement="top" title="Some Gromacs trajectories cannot be opened" class="gfm gfm-issue">#54</a> Some Gromacs trajectories cannot be opened (due to the presence of "M" dummy atoms)</li>
<li data-sourcepos="4:1-4:59">FIXED issue <a href="/scientific-software/mdanse/-/issues/53" data-reference-type="issue" data-original="#53" data-link="false" data-link-reference="false" data-project="29" data-issue="1001" data-project-path="scientific-software/mdanse" data-iid="53" data-issue-type="issue" data-container="body" data-placement="top" title="VASP NPT trajectories cannot be opened" class="gfm gfm-issue">#53</a> VASP NPT trajectories could not be opened</li>
<li data-sourcepos="5:1-5:69">FIXED issue <a href="/scientific-software/mdanse/-/issues/52" data-reference-type="issue" data-original="#52" data-link="false" data-link-reference="false" data-project="29" data-issue="1000" data-project-path="scientific-software/mdanse" data-iid="52" data-issue-type="issue" data-container="body" data-placement="top" title="QVector circular lattice generator creates an error" class="gfm gfm-issue">#52</a> QVector circular lattice generator created an error</li>
<li data-sourcepos="6:1-6:84">FIXED issue <a href="/scientific-software/mdanse/-/issues/51" data-reference-type="issue" data-original="#51" data-link="false" data-link-reference="false" data-project="29" data-issue="994" data-project-path="scientific-software/mdanse" data-iid="51" data-issue-type="issue" data-container="body" data-placement="top" title="SFFSF job (Structure Factor From Scattering Function) is accessible on MMTK trajectory and molecular viewer" class="gfm gfm-issue">#51</a> SFFSF job was accessible from MMTK trajectory and molecular viewer</li>
<li data-sourcepos="7:1-7:88">FIXED issue <a href="/scientific-software/mdanse/-/issues/50" data-reference-type="issue" data-original="#50" data-link="false" data-link-reference="false" data-project="29" data-issue="993" data-project-path="scientific-software/mdanse" data-iid="50" data-issue-type="issue" data-container="body" data-placement="top" title="Inconsistent results when using multiple atom selections" class="gfm gfm-issue">#50</a> Some results could be inconsistent when using multiple atom selections</li>
<li data-sourcepos="8:1-8:58">FIXED issue <a href="/scientific-software/mdanse/-/issues/49" data-reference-type="issue" data-original="#49" data-link="false" data-link-reference="false" data-project="29" data-issue="992" data-project-path="scientific-software/mdanse" data-iid="49" data-issue-type="issue" data-container="body" data-placement="top" title="Some LAMMPS files cannot be converted" class="gfm gfm-issue">#49</a> Some LAMMPS files could not be converted</li>
<li data-sourcepos="9:1-9:54">FIXED issue <a href="/scientific-software/mdanse/-/issues/48" data-reference-type="issue" data-original="#48" data-link="false" data-link-reference="false" data-project="29" data-issue="944" data-project-path="scientific-software/mdanse" data-iid="48" data-issue-type="issue" data-container="body" data-placement="top" title="Bug in NeutronDynamicTotalStructureFactor analysis" class="gfm gfm-issue">#48</a> There was an error in NDTSF analysis</li>
<li data-sourcepos="10:1-10:45">FIXED issue <a href="/scientific-software/mdanse/-/issues/47" data-reference-type="issue" data-original="#47" data-link="false" data-link-reference="false" data-project="29" data-issue="881" data-project-path="scientific-software/mdanse" data-iid="47" data-issue-type="issue" data-container="body" data-placement="top" title="GUI converters does not close" class="gfm gfm-issue">#47</a> GUI converter did not close</li>
<li data-sourcepos="11:1-11:50">CHANGED (internal) Docker build has been changed</li>
<li data-sourcepos="12:1-12:49">CHANGED (internal) macOS build has been changed</li>
</ul>2020-04-22T09:57:15+02:00Perenon Rhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.3.11.3.1<ul data-sourcepos="1:1-1:142" dir="auto">
<li data-sourcepos="1:1-1:142">FIXED issue <a href="/scientific-software/mdanse/-/issues/46" data-reference-type="issue" data-original="#46" data-link="false" data-link-reference="false" data-project="29" data-issue="867" data-project-path="scientific-software/mdanse" data-iid="46" data-issue-type="issue" data-container="body" data-placement="top" title="Error when closing converter GUI" class="gfm gfm-issue">#46</a> There was an error message when closing converter plugins. The error is no more here but the converter still does not close.</li>
</ul>2019-05-21T15:29:08+02:00Perenon Rhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.3.01.3.0<ul data-sourcepos="1:1-9:140" dir="auto">
<li data-sourcepos="1:1-1:55">ADDED Neutron Dynamic Total Structure Factor analysis</li>
<li data-sourcepos="2:1-2:96">ADDED User can now launch a script with qvector parameters instead of saved qvector definition</li>
<li data-sourcepos="3:1-3:191">FIXED issue <a href="/scientific-software/mdanse/-/issues/45" data-reference-type="issue" data-original="#45" data-link="false" data-link-reference="false" data-project="29" data-issue="861" data-project-path="scientific-software/mdanse" data-iid="45" data-issue-type="issue" data-container="body" data-placement="top" title="MSD computing on non-orthorombic universe is wrong" class="gfm gfm-issue">#45</a> MSD computing on non-orthorombic universe was wrong (fixed with new mmtk version) /!\ Modifies MSD, VACF and DoS, and maybe others... /!\ Units in MMTK have slightly changed</li>
<li data-sourcepos="4:1-4:113">FIXED issue <a href="/scientific-software/mdanse/-/issues/44" data-reference-type="issue" data-original="#44" data-link="false" data-link-reference="false" data-project="29" data-issue="860" data-project-path="scientific-software/mdanse" data-iid="44" data-issue-type="issue" data-container="body" data-placement="top" title="Error message when display, close and reopen molecular viewer and animation" class="gfm gfm-issue">#44</a> An error message appeared when display, close and reopen molecular viewer and animation plugins</li>
<li data-sourcepos="5:1-5:123">FIXED issue <a href="/scientific-software/mdanse/-/issues/43" data-reference-type="issue" data-original="#43" data-link="false" data-link-reference="false" data-project="29" data-issue="859" data-project-path="scientific-software/mdanse" data-iid="43" data-issue-type="issue" data-container="body" data-placement="top" title="Weights are normalized with absolute sum" class="gfm gfm-issue">#43</a> The weights are no more normalized with absolute sum /!\ Modifies at least CCF, DCSF and SSF job behavior</li>
<li data-sourcepos="6:1-6:53">FIXED issue <a href="/scientific-software/mdanse/-/issues/42" data-reference-type="issue" data-original="#42" data-link="false" data-link-reference="false" data-project="29" data-issue="857" data-project-path="scientific-software/mdanse" data-iid="42" data-issue-type="issue" data-container="body" data-placement="top" title="Plotter units can be inconsistent" class="gfm gfm-issue">#42</a> Plotter units could be inconsistent</li>
<li data-sourcepos="7:1-7:65">FIXED issue <a href="/scientific-software/mdanse/-/issues/41" data-reference-type="issue" data-original="#41" data-link="false" data-link-reference="false" data-project="29" data-issue="856" data-project-path="scientific-software/mdanse" data-iid="41" data-issue-type="issue" data-container="body" data-placement="top" title="Instrument resolution window freezes GUI on macOS" class="gfm gfm-issue">#41</a> Instrument resolution window froze GUI on macOS</li>
<li data-sourcepos="8:1-8:96">FIXED issue <a href="/scientific-software/mdanse/-/issues/40" data-reference-type="issue" data-original="#40" data-link="false" data-link-reference="false" data-project="29" data-issue="823" data-project-path="scientific-software/mdanse" data-iid="40" data-issue-type="issue" data-container="body" data-placement="top" title="MDANSE cannot be used on Ubuntu Bionic systems" class="gfm gfm-issue">#40</a> MDANSE could not be used on Ubuntu Bionic systems (due to vtk dependency name)</li>
<li data-sourcepos="9:1-9:140">FIXED issue <a href="/scientific-software/mdanse/-/issues/38" data-reference-type="issue" data-original="#38" data-link="false" data-link-reference="false" data-project="29" data-issue="773" data-project-path="scientific-software/mdanse" data-iid="38" data-issue-type="issue" data-container="body" data-placement="top" title="Interface is frozen when jobs are launched" class="gfm gfm-issue">#38</a> Interface was frozen when jobs were launched. A delay of 2s is added at the end of jobs before suppressing the status file</li>
</ul>2019-02-07T22:38:54+01:00Remi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.2.11.2.1<ul data-sourcepos="1:1-1:64" dir="auto">
<li data-sourcepos="1:1-1:64">FIXED issue <a href="/scientific-software/mdanse/-/issues/39" data-reference-type="issue" data-original="#39" data-link="false" data-link-reference="false" data-project="29" data-issue="785" data-project-path="scientific-software/mdanse" data-iid="39" data-issue-type="issue" data-container="body" data-placement="top" title="Time scale in Gromacs converter is incorrect" class="gfm gfm-issue">#39</a> Time scale in Gromacs converter was incorrect`</li>
</ul>2018-09-22T10:37:07+02:00Perenon Rhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.2.01.2.0<ul data-sourcepos="1:1-20:77" dir="auto">
<li data-sourcepos="1:1-1:98">ADDED issue <a href="/scientific-software/mdanse/-/issues/27" data-reference-type="issue" data-original="#27" data-link="false" data-link-reference="false" data-project="29" data-issue="727" data-project-path="scientific-software/mdanse" data-iid="27" data-issue-type="issue" data-container="body" data-placement="top" title="Jobs error messages are not explicit enough in the GUI" class="gfm gfm-issue">#27</a> Better error handling when an error occurs when running an analysis from the GUI</li>
<li data-sourcepos="2:1-2:58">ADDED issue <a href="/scientific-software/mdanse/-/issues/10" data-reference-type="issue" data-original="#10" data-link="false" data-link-reference="false" data-project="29" data-issue="634" data-project-path="scientific-software/mdanse" data-iid="10" data-issue-type="issue" data-container="body" data-placement="top" title="Implement Gromacs trajectory converter" class="gfm gfm-issue">#10</a> Implemented Gromacs trajectory converter</li>
<li data-sourcepos="3:1-3:64">FIXED issue <a href="/scientific-software/mdanse/-/issues/36" data-reference-type="issue" data-original="#36" data-link="false" data-link-reference="false" data-project="29" data-issue="764" data-project-path="scientific-software/mdanse" data-iid="36" data-issue-type="issue" data-container="body" data-placement="top" title="Jobs cannot be launched on windows machines" class="gfm gfm-issue">#36</a> Jobs could not be launched on Windows machines</li>
<li data-sourcepos="4:1-4:117">FIXED issue <a href="/scientific-software/mdanse/-/issues/35" data-reference-type="issue" data-original="#35" data-link="false" data-link-reference="false" data-project="29" data-issue="742" data-project-path="scientific-software/mdanse" data-iid="35" data-issue-type="issue" data-container="body" data-placement="top" title="Improper behavior of RBT job" class="gfm gfm-issue">#35</a> Result of RBT was incorrect /!\ Modifies API (removes stepwise parameter) /!\ Modifies job behavior</li>
<li data-sourcepos="5:1-5:107">FIXED issue <a href="/scientific-software/mdanse/-/issues/32" data-reference-type="issue" data-original="#32" data-link="false" data-link-reference="false" data-project="29" data-issue="739" data-project-path="scientific-software/mdanse" data-iid="32" data-issue-type="issue" data-container="body" data-placement="top" title="Result of DCSF is incorrect" class="gfm gfm-issue">#32</a> Result of DCSF was incorrect (the QVectors changed over frames) /!\ Modifies job behavior</li>
<li data-sourcepos="6:1-6:99">FIXED issue <a href="/scientific-software/mdanse/-/issues/31" data-reference-type="issue" data-original="#31" data-link="false" data-link-reference="false" data-project="29" data-issue="738" data-project-path="scientific-software/mdanse" data-iid="31" data-issue-type="issue" data-container="body" data-placement="top" title="Result of RMSD is incorrect (sqrt not performed)" class="gfm gfm-issue">#31</a> Result of RMSD was incorrect (the sqrt was not applied) /!\ Modifies job behavior</li>
<li data-sourcepos="7:1-7:91">FIXED issue <a href="/scientific-software/mdanse/-/issues/30" data-reference-type="issue" data-original="#30" data-link="false" data-link-reference="false" data-project="29" data-issue="737" data-project-path="scientific-software/mdanse" data-iid="30" data-issue-type="issue" data-container="body" data-placement="top" title="Normalization of VACF total value is incorrect" class="gfm gfm-issue">#30</a> Normalization of VACF total value was incorrect /!\ Modifies job behavior</li>
<li data-sourcepos="8:1-8:184">FIXED issue <a href="/scientific-software/mdanse/-/issues/29" data-reference-type="issue" data-original="#29" data-link="false" data-link-reference="false" data-project="29" data-issue="736" data-project-path="scientific-software/mdanse" data-iid="29" data-issue-type="issue" data-container="body" data-placement="top" title="Improper behavior if first time label is not zero" class="gfm gfm-issue">#29</a> Some jobs (AC, CCF, DOS, DACF, DCSF, DISF, GACF, GDISF, MSD, PACF, RMSD, VACF) did not behave properly if first time of the MD is not zero /!\ Modifies jobs behaviors</li>
<li data-sourcepos="9:1-9:173">FIXED issue <a href="/scientific-software/mdanse/-/issues/28" data-reference-type="issue" data-original="#28" data-link="false" data-link-reference="false" data-project="29" data-issue="735" data-project-path="scientific-software/mdanse" data-iid="28" data-issue-type="issue" data-container="body" data-placement="top" title="Time steps are sometimes incorrects when converting dcd file" class="gfm gfm-issue">#28</a> The time step is now part of the settings for DCD based converters /!\ Modifies API (with default value) /!\ Modifies jobs CHARMM, NAMD and XPLOR behaviors</li>
<li data-sourcepos="10:1-10:50">FIXED issue <a href="/scientific-software/mdanse/-/issues/26" data-reference-type="issue" data-original="#26" data-link="false" data-link-reference="false" data-project="29" data-issue="726" data-project-path="scientific-software/mdanse" data-iid="26" data-issue-type="issue" data-container="body" data-placement="top" title="MDANSE error when deleting a opened data" class="gfm gfm-issue">#26</a> Data can be deleted from the GUI</li>
<li data-sourcepos="11:1-11:107">FIXED issue <a href="/scientific-software/mdanse/-/issues/25" data-reference-type="issue" data-original="#25" data-link="false" data-link-reference="false" data-project="29" data-issue="724" data-project-path="scientific-software/mdanse" data-iid="25" data-issue-type="issue" data-container="body" data-placement="top" title="Plotter crashes on Ubuntu 16.04" class="gfm gfm-issue">#25</a> The plotter is now compliant with all matplotlib versions (was crashing on ubuntu-xenial)</li>
<li data-sourcepos="12:1-12:79">FIXED issue <a href="/scientific-software/mdanse/-/issues/24" data-reference-type="issue" data-original="#24" data-link="false" data-link-reference="false" data-project="29" data-issue="717" data-project-path="scientific-software/mdanse" data-iid="24" data-issue-type="issue" data-container="body" data-placement="top" title="Wrong Q vectors in CurrentCorrelationFunction" class="gfm gfm-issue">#24</a> Q vectors in CCF Job were incorrect /!\ Modifies job behavior</li>
<li data-sourcepos="13:1-13:77">FIXED issue <a href="/scientific-software/mdanse/-/issues/21" data-reference-type="issue" data-original="#21" data-link="false" data-link-reference="false" data-project="29" data-issue="714" data-project-path="scientific-software/mdanse" data-iid="21" data-issue-type="issue" data-container="body" data-placement="top" title='"Save a template for new analysis" button produces an error' class="gfm gfm-issue">#21</a> "Save a template for new analysis" button produced an error</li>
<li data-sourcepos="14:1-14:65">FIXED issue <a href="/scientific-software/mdanse/-/issues/20" data-reference-type="issue" data-original="#20" data-link="false" data-link-reference="false" data-project="29" data-issue="713" data-project-path="scientific-software/mdanse" data-iid="20" data-issue-type="issue" data-container="body" data-placement="top" title='"Theoretical background" does not open on MacOS' class="gfm gfm-issue">#20</a> Opening the theoretical help on MacOS is now OK</li>
<li data-sourcepos="15:1-15:82">FIXED issue <a href="/scientific-software/mdanse/-/issues/18" data-reference-type="issue" data-original="#18" data-link="false" data-link-reference="false" data-project="29" data-issue="706" data-project-path="scientific-software/mdanse" data-iid="18" data-issue-type="issue" data-container="body" data-placement="top" title="Output format ComboBox in jobs parameters cannot be clicked on macos or windows" class="gfm gfm-issue">#18</a> The items of the checkable combobox are now checkable on Windows</li>
<li data-sourcepos="16:1-16:96">FIXED issue <a href="/scientific-software/mdanse/-/issues/16" data-reference-type="issue" data-original="#16" data-link="false" data-link-reference="false" data-project="29" data-issue="700" data-project-path="scientific-software/mdanse" data-iid="16" data-issue-type="issue" data-container="body" data-placement="top" title="The data format selector in GUI Data Loader does not appear on macOS," class="gfm gfm-issue">#16</a> The file filter combo box is now available from the input file dialog on MacOS</li>
<li data-sourcepos="17:1-17:78">CHANGED (internal) issue <a href="/scientific-software/mdanse/-/issues/34" data-reference-type="issue" data-original="#34" data-link="false" data-link-reference="false" data-project="29" data-issue="741" data-project-path="scientific-software/mdanse" data-iid="34" data-issue-type="issue" data-container="body" data-placement="top" title="Renaming MDANSE to Src" class="gfm gfm-issue">#34</a> source code is moved to Src/ instead of MDANSE/</li>
<li data-sourcepos="18:1-18:66">CHANGED (internal) MDANSE can now be built without documentation</li>
<li data-sourcepos="19:1-19:70">CHANGED (internal) issue <a href="/scientific-software/mdanse/-/issues/33" data-reference-type="issue" data-original="#33" data-link="false" data-link-reference="false" data-project="29" data-issue="740" data-project-path="scientific-software/mdanse" data-iid="33" data-issue-type="issue" data-container="body" data-placement="top" title="Make macOS dmg lighter" class="gfm gfm-issue">#33</a> The macOS dmg is now ligher than before</li>
<li data-sourcepos="20:1-20:77">CHANGED (internal) MDANSE is now built with system python on macOS (2.7.10)</li>
</ul>2018-09-18T16:30:22+02:00Perenon Rhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.1.31.1.3Remi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.1.21.1.2Remi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.1.11.1.1Remi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/tags/1.1.01.1.0Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.121.0.12this is version 1.0.12Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.111.0.11this is version 1.0.11Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.101.0.10this is version 1.0.10Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.91.0.9this is version 1.0.9Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.81.0.8this is version 1.0.8Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.71.0.7This is version 1.0.7Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.6.a1.0.6.athis is version 1.0.6.aEric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.61.0.6this is version 1.0.6Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.51.0.5this is versin 1.0.5Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.41.0.4version 1.0.4Eric Pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/tags/1.0.4.rc41.0.4.rc4version 1.0.4.rc4Eric Pellegrini