Issues · Scientific Software / MDANSE

New issue

Wrong Q vectors in CurrentCorrelationFunction

#24 · created Jul 06, 2018 by Miguel Angel Gonzalez bug
- CLOSED
- 0
updated Aug 01, 2018
Weights are normalized with absolute sum

#43 · created Jan 30, 2019 by Remi Perenon bug
- CLOSED
- 0
updated Jan 30, 2019
VASP NPT trajectories cannot be opened

#53 · created Mar 28, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Mar 28, 2020
Time steps are sometimes incorrects when converting dcd file

#28 · created Jul 27, 2018 by Remi Perenon bug
- CLOSED
- 2
updated Jul 27, 2018
Time scale in Gromacs converter is incorrect

#39 · created Sep 21, 2018 by Remi Perenon bug
- CLOSED
- 1
updated Sep 21, 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
The changelog is not updated in the windows installer

#13 · created Jun 05, 2018 by Remi Perenon bug
- CLOSED
- 0
updated Jun 14, 2018
Sphinx does not run on Windows

#22 · created Jul 06, 2018 by eric pellegrini
- CLOSED
- 1
updated Jul 24, 2018
Some LAMMPS files cannot be converted

#49 · created Feb 27, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Feb 27, 2020
Some Gromacs trajectories cannot be opened

#54 · created Mar 29, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Mar 30, 2020
Smart association in LAMMPS converter

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

#34 · created Aug 07, 2018 by eric pellegrini build server refactoring
- CLOSED
- 0
updated Aug 07, 2018
Remove examples data from dmg file

#2 · created May 11, 2016 by Jamie Hall
- CLOSED
- 1
updated Jun 04, 2018
QVector circular lattice generator creates an error

#52 · created Mar 28, 2020 by Remi Perenon bug
- CLOSED
- 0
updated Mar 28, 2020
Problem with netCDF files generated with Materials Studio

#6 · created Dec 07, 2017 by Remi Perenon bug
- 1
updated Dec 08, 2017
Problem with DOS calculation...

#8 · created Feb 08, 2018 by Stephane Rols bug
- 0
updated Jun 01, 2018