Commits · 70af3d2bd0a8826b0bc9ff3dfc9cd2c584325299 · Scientific Software / MDANSE · GitLab

29 Nov, 2016 4 commits
- Merge branch 'hotfix-1.0.4.rc4' · 70af3d2b
  eric pellegrini authored Nov 29, 2016
  
  70af3d2b
- updated CHANGELOG and __pkginfo__.py files · e8291af2
  eric pellegrini authored Nov 29, 2016
  
  e8291af2
- bug fix in coordination number analysis: some pairs were never taken into account · 9f292118
  eric pellegrini authored Nov 29, 2016
  
  9f292118
- bug fix when transmutating atoms from an atom selection different to 'all' · 8320fc41
  eric pellegrini authored Nov 29, 2016
  
  8320fc41
28 Nov, 2016 4 commits
- Merge branch 'hotfix-1.0.4.rc3' · 7c0d220c
  eric pellegrini authored Nov 28, 2016
  
  7c0d220c
- updated CHANGELOG and __pkginfo__.py files · 4414c27a
  eric pellegrini authored Nov 28, 2016
  
  4414c27a
- improved LAMMPS converter: the parsing of the config file is more tolerance in... · 15b68c2c
  eric pellegrini authored Nov 28, 2016
```
improved LAMMPS converter: the parsing of the config file is more tolerance in term of required keyword format
```
  15b68c2c
- bug fix in debian packager: add the python-setuptools dependency · 523c85b2
  eric pellegrini authored Nov 28, 2016
  
  523c85b2
22 Nov, 2016 15 commits
- Merge branch 'release-1.0.4.rc2' · 265827b9
  eric pellegrini authored Nov 22, 2016
  
  265827b9
- updated CHANGELOG · dfeb62c3
  eric pellegrini authored Nov 22, 2016
  
  dfeb62c3
- added support for gitflow bugfix branch to gitlab config file · a05b1ec8
  eric pellegrini authored Nov 22, 2016
  
  a05b1ec8
- updated CHANGELOG · ebb7908a
  eric pellegrini authored Nov 22, 2016
  
  ebb7908a
- the DL_POLY converter is now compliant with DL_POLY 4 · 3ab6b0a5
  eric pellegrini authored Nov 22, 2016
  
  3ab6b0a5
- updated CHANGELOG and __pkginfo__.py · 58790aa9
  eric pellegrini authored Nov 22, 2016
  
  58790aa9
- added the mass tolerance to LAMMP converter · dc392253
  eric pellegrini authored Nov 22, 2016
  
  dc392253
- updated the LAMMP example trajectory with more accurate masses · ab1185e1
  eric pellegrini authored Nov 22, 2016
  
  ab1185e1
- Merge tag '1.0.4.rc1' into develop · da5f5a9b
  eric pellegrini authored Nov 22, 2016
```
version 1.0.4.rc1
```
  da5f5a9b
- Merge branch 'release-1.0.4.rc1' · 5dc706f0
  eric pellegrini authored Nov 22, 2016
  
  5dc706f0
- updated the CHANGELOG and __pkginfo__.py files · bc2392b3
  eric pellegrini authored Nov 22, 2016
  
  bc2392b3
- bug fix in IWidget: the label of the configurator was not taken into account · f491516e
  eric pellegrini authored Nov 22, 2016
  
  f491516e
- bug fix path_to_module function: the list of directories has to be parsed backwards · a184b8a4
  eric pellegrini authored Nov 22, 2016
  
  a184b8a4
- 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
- modified the label for r value · e5f2828c
  eric pellegrini authored Nov 22, 2016
  
  e5f2828c
18 Nov, 2016 16 commits
- Merge tag '1.0.3.e' into develop · 47847a26
  eric pellegrini authored Nov 18, 2016
```
version 1.0.3.e
```
  47847a26
- Merge branch 'hotfix-1.0.3.e' · b244f2c9
  eric pellegrini authored Nov 18, 2016
  
  b244f2c9
- update __pkginfo__ · bf2f8ec4
  eric pellegrini authored Nov 18, 2016
  
  bf2f8ec4
- bug fix relative to REGISTRY update · a5c45b73
  eric pellegrini authored Nov 18, 2016
  
  a5c45b73
- Merge tag '1.0.3.d' into develop · f5289a42
  eric pellegrini authored Nov 18, 2016
```
version 1.0.3.d
```
  f5289a42
- Merge branch 'hotfix-1.0.3.d' · a0efd1bf
  eric pellegrini authored Nov 18, 2016
  
  a0efd1bf
- completed the 1.0.3.d · 17e180a1
  eric pellegrini authored Nov 18, 2016
  
  17e180a1
- redirected the sys.stdout and sys.stderr to the LOGGER · 51645b6e
  eric pellegrini authored Nov 18, 2016
  
  51645b6e
- implemented a write method so as ConsoleHandler behaves as a file-like object · c990b09b
  eric pellegrini authored Nov 18, 2016
  
  c990b09b
- the job short name appears now explicitely in the saved job files · 1b436c73
  eric pellegrini authored Nov 18, 2016
  
  1b436c73
- small refactoring of MDANSE __init__ · c7ce7c19
  eric pellegrini authored Nov 18, 2016
  
  c7ce7c19
- small refactoring of ClassRegistry · ea9bedb9
  eric pellegrini authored Nov 18, 2016
  
  ea9bedb9
- removed the explicit imports of the framework classes · f657f5e1
  eric pellegrini authored Nov 18, 2016
  
  f657f5e1
- the plotter show the last loaded data now · 89274298
  eric pellegrini authored Nov 18, 2016
  
  89274298
- bug fix in rmsd job: the PBC were not applied to the calculation · 65b8edfb
  eric pellegrini authored Nov 18, 2016
  
  65b8edfb
- bug fix in AtomSelectionCinfigurator::get_indexes · 233d9e4c
  eric pellegrini authored Nov 18, 2016
  
  233d9e4c
15 Nov, 2016 1 commit
- the proposed default output file of a trajectory conversion is now stored in... · ef31ed6f
  eric pellegrini authored Nov 15, 2016
```
the proposed default output file of a trajectory conversion is now stored in the user home directory
```
  ef31ed6f