Issues · Scientific Software / MDANSE

New issue

Problem in trajectory conversion - MS Forcite

#5 · created Apr 20, 2017 by Stephane Rols bug
- 3
updated Jun 01, 2018
adding git commit id

#4 · created Mar 07, 2017 by eric pellegrini build server refactoring
- CLOSED
- 1
updated Apr 23, 2017
macos dmg corrupted

#3 · created Mar 07, 2017 by eric pellegrini bug
- CLOSED
- 1
updated Apr 23, 2017
App frozen after opening Preferences dialog

#1 · created May 11, 2016 by Jamie Hall bug
- CLOSED
- 1
updated Jun 01, 2018
Remove examples data from dmg file

#2 · created May 11, 2016 by Jamie Hall
- CLOSED
- 1
updated Jun 04, 2018
Problem with netCDF files generated with Materials Studio

#6 · created Dec 07, 2017 by Remi Perenon bug
- 1
updated Dec 08, 2017
Error message when viewing a RBT trajectory

#7 · created Feb 01, 2018 by Stephane Rols bug
- CLOSED
- 1
updated Jun 04, 2018
Problem with DOS calculation...

#8 · created Feb 08, 2018 by Stephane Rols bug
- 0
updated Jun 01, 2018
MDANSE crashed on some MacOS systems

#9 · created Jun 01, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Jun 04, 2018
Implement Gromacs trajectory converter

#10 · created Jun 01, 2018 by eric pellegrini development
- CLOSED
- 0
updated Jul 03, 2018
Get MDANSE compliant with 16.04 and 18.04 ubuntu systems

#11 · created Jun 01, 2018 by Remi Perenon build server development refactoring
- CLOSED
- 1
updated Jun 04, 2018
MDANSE should have 3 different phases (release, release-candidate, beta)

#12 · created Jun 01, 2018 by Remi Perenon build server development
- CLOSED
- 1
updated Jun 04, 2018
The changelog is not updated in the windows installer

#13 · created Jun 05, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Jun 14, 2018
Package name is not valid for debian package in 1.1.0 version

#14 · created Jun 14, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Jun 14, 2018
The data format selector in GUI Data Loader does not appear on macOS, so every data is loaded as mvi

#15 · created Jun 19, 2018 by Remi Perenon bug
- CLOSED
- 3
updated Jun 20, 2018
The data format selector in GUI Data Loader does not appear on macOS,

#16 · created Jun 20, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Jul 26, 2018
Plotter is broken "no attribute axisbg"

#17 · created Jun 27, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Jun 28, 2018
Output format ComboBox in jobs parameters cannot be clicked on macos or windows

#18 · created Jun 27, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Aug 01, 2018
Cannot display user definition qvectors "Cannot expand hidden root"

#19 · created Jun 27, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Jun 28, 2018
"Theoretical background" does not open on MacOS

#20 · created Jul 03, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Jul 24, 2018
"Save a template for new analysis" button produces an error

#21 · created Jul 03, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Jul 03, 2018
Sphinx does not run on Windows

#22 · created Jul 06, 2018 by eric pellegrini
- CLOSED
- 1
updated Jul 24, 2018
Wrong Q vectors in CurrentCorrelationFunction

#24 · created Jul 06, 2018 by Miguel Angel Gonzalez bug
- CLOSED
- 0
updated Aug 01, 2018
Plotter crashes on Ubuntu 16.04

#25 · created Jul 25, 2018 by eric pellegrini bug
- CLOSED
- 1
updated Jul 25, 2018
MDANSE error when deleting a opened data

#26 · created Jul 25, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Jul 26, 2018
Jobs error messages are not explicit enough in the GUI

#27 · created Jul 26, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Jul 26, 2018
Time steps are sometimes incorrects when converting dcd file

#28 · created Jul 27, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Jul 27, 2018
Improper behavior if first time label is not zero

#29 · created Aug 01, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Aug 01, 2018
Normalization of VACF total value is incorrect

#30 · created Aug 01, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Aug 01, 2018
Result of RMSD is incorrect (sqrt not performed)

#31 · created Aug 07, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Aug 07, 2018
Result of DCSF is incorrect

#32 · created Aug 07, 2018 by Remi Perenon bug
- CLOSED
- 3
updated Aug 07, 2018
Make macOS dmg lighter

#33 · created Aug 07, 2018 by Remi Perenon build server
- CLOSED
- 0
updated Aug 07, 2018
Renaming MDANSE to Src

#34 · created Aug 07, 2018 by eric pellegrini build server refactoring
- CLOSED
- 0
updated Aug 07, 2018
Improper behavior of RBT job

#35 · created Aug 10, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Aug 10, 2018
Jobs cannot be launched on windows machines

#36 · created Sep 06, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Sep 13, 2018
Modification of jobs communication procedure - do not use pickle files

#37 · created Sep 13, 2018 by Remi Perenon development refactoring
- 0
updated Sep 13, 2018
Interface is frozen when jobs are launched

#38 · created Sep 13, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Feb 07, 2019
Time scale in Gromacs converter is incorrect

#39 · created Sep 21, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Sep 21, 2018
MDANSE cannot be used on Ubuntu Bionic systems

#40 · created Nov 20, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Jan 22, 2019
Instrument resolution window freezes GUI on macOS

#41 · created Jan 22, 2019 by Remi Perenon bug
- CLOSED
- 0
updated Jan 22, 2019
Plotter units can be inconsistent

#42 · created Jan 24, 2019 by Remi Perenon bug
- CLOSED
- 0
updated Jan 24, 2019
Weights are normalized with absolute sum

#43 · created Jan 30, 2019 by Remi Perenon bug
- CLOSED
- 0
updated Jan 30, 2019
Error message when display, close and reopen molecular viewer and animation

#44 · created Feb 01, 2019 by Remi Perenon bug
- CLOSED
- 0
updated Feb 06, 2019
MSD computing on non-orthorombic universe is wrong

#45 · created Feb 06, 2019 by Remi Perenon bug
- CLOSED
- 2
updated Feb 07, 2019
Error when closing converter GUI

#46 · created Mar 21, 2019 by Remi Perenon
- CLOSED
- 1
updated May 21, 2019
GUI converters does not close

#47 · created May 21, 2019 by Remi Perenon bug
- CLOSED
- 0
updated Feb 27, 2020
Bug in NeutronDynamicTotalStructureFactor analysis

#48 · created Dec 10, 2019 by Miguel Angel Gonzalez
- CLOSED
- 0
updated Feb 27, 2020
Some LAMMPS files cannot be converted

#49 · created Feb 27, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Feb 27, 2020
Inconsistent results when using multiple atom selections

#50 · created Feb 27, 2020 by Remi Perenon
- CLOSED
- 0
updated Feb 27, 2020
SFFSF job (Structure Factor From Scattering Function) is accessible on MMTK trajectory and molecular viewer

#51 · created Feb 27, 2020 by Remi Perenon
- CLOSED
- 0
updated Feb 27, 2020
QVector circular lattice generator creates an error

#52 · created Mar 28, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Mar 28, 2020
VASP NPT trajectories cannot be opened

#53 · created Mar 28, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Mar 28, 2020
Some Gromacs trajectories cannot be opened

#54 · created Mar 29, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Mar 30, 2020
Plotter issues

#55 · created Apr 03, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Apr 06, 2020
Layout on Windows differs from macOS and Linux

#56 · created Apr 03, 2020 by Remi Perenon bug
- CLOSED
- 3
updated Apr 04, 2020
On macOS, MDANSE does not use the embedded python

#57 · created Jul 09, 2020 by Remi Perenon bug build server
- CLOSED
- 0
updated Jul 09, 2020
Compatibility issues with LAMMPS files

#58 · created Oct 07, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Nov 09, 2020
Smart association in LAMMPS converter

#59 · created Nov 09, 2020 by Remi Perenon development
- CLOSED
- 0
updated Nov 12, 2020