Commits · 5fa2ae42e34662bde36ec960f2005196cb09bf6a · Scientific Software / MDANSE

10 Jul, 2020 1 commit
- Adding automatic number of time steps detection in LAMMPS converter · 318caae1
  Remi Perenon authored Jul 10, 2020
  
  318caae1
09 Jul, 2020 3 commits
- Dealing with unordered LAMMPS files · cee32cd5
  Remi Perenon authored Jul 09, 2020
  
  cee32cd5
- 10^-3 mass tolerance seems better for LAMMPS converter · 4755ad1f
  Remi Perenon authored Jul 09, 2020
  
  4755ad1f
- LAMMPS files can have '<x,y,z>' or '<x,y,z>u' as column index for real coordinates · db981228
  Remi Perenon authored Jul 09, 2020
  
  db981228
27 Feb, 2020 1 commit
- Debugging LAMMPS converter file · 365303c8
  Remi Perenon authored Feb 27, 2020
  
  365303c8
03 Jan, 2019 2 commits
- Standardized all file headers · 1d3d4bc6
  eric pellegrini authored Jan 03, 2019
  
  1d3d4bc6
- removed heterogeneous file header · c5f9b723
  eric pellegrini authored Jan 03, 2019
  
  c5f9b723
07 Aug, 2018 1 commit
- Renamed MDANSE directory to Src · a2b9347e
  eric pellegrini authored Aug 07, 2018 and Remi Perenon committed Aug 07, 2018
  
  a2b9347e
04 Jun, 2018 1 commit
- Replacing all output_file occurences by output_files · b83428de
  Remi Perenon authored Jun 04, 2018
  
  b83428de
28 Nov, 2016 1 commit
- improved LAMMPS converter: the parsing of the config file is more tolerance in... · 15b68c2c
  eric pellegrini authored Nov 28, 2016
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improved LAMMPS converter: the parsing of the config file is more tolerance in term of required keyword format
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  15b68c2c
22 Nov, 2016 2 commits
- added the mass tolerance to LAMMP converter · dc392253
  eric pellegrini authored Nov 22, 2016
  
  dc392253
- raise an error when none or more than atom matches the mass stored in the LAMMPS config file · 2e716547
  eric pellegrini authored Nov 22, 2016
  
  2e716547
14 Oct, 2016 1 commit
- Refactored pubsub module with absolute import · 9e6d4dda
  eric pellegrini authored Oct 14, 2016
  
  9e6d4dda
04 Sep, 2015 1 commit
- Added 'empty_data' ancestor to Converter base class · 67a74d04
  eric pellegrini authored Sep 04, 2015
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Removed corresponding class attribute of Converter concrete class
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  67a74d04
02 Sep, 2015 1 commit

The job plugin can now be plugged into the viewer or on the data plugin · c67e4126

eric pellegrini authored Sep 02, 2015

The DataInfoPlugin is now OK
Bug fix with pubsub.sendMessage wrong keyword
Improved the AtomListSelectionDialog
Removed unuseful pubsub calls from the molecular viewer

c67e4126

16 Jun, 2015 1 commit
- Refactored the docstrings with correct author name · 9f2e95dd
  eric pellegrini authored Jun 16, 2015
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Bug fix that was making the sphinx-build very slow
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  9f2e95dd
10 Jun, 2015 1 commit

Fixed many many many bugs due to the protage of nmoldyn to MDANSE. · c1a5772d

eric pellegrini authored Jun 10, 2015

Reduced the size of PDB example file.
Added the generated functional tests for all MDANSE analysis.
Bug fix in spatial density cython file

c1a5772d

09 Jun, 2015 1 commit
- Change of address in all files in Jobs directory and sub-directory. · e5a3448a
  Mark Robert Johnson authored Jun 09, 2015
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Update of help text for all analyses.
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  e5a3448a
28 May, 2015 2 commits

Replaced nmoldyn by MDANSE in several files · 56ee68be
eric pellegrini authored May 28, 2015
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Refactored the mdanse_gui script
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56ee68be

Get rid of empty data that was very fuzzy for users · b6f25d83

eric pellegrini authored May 28, 2015

Moved the converters to a specific menu
Reintroduced the __setitem__ for the ElementsDatabase
Reintroduced and refactored the PreferencesSettingsDialog
Refactored the PeriodicTablePlugin
Added new icons
Refactored the Icon class

b6f25d83

15 Apr, 2015 1 commit
- Renamed IJob.configurators class attribute to IJob.settings to avoid · 01fe5162
  eric pellegrini authored Apr 15, 2015
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conflicts
Refactored many GUI related module to make the main app restartable
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  01fe5162
13 Apr, 2015 1 commit
- All the analysis are now reintroduced in MDANSE · 10c38dc7
  eric pellegrini authored Apr 13, 2015
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Splitted the Plotter plugin in several modules
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  10c38dc7