Commits · b7049153f53909df45dad0248b91d1918b3c0fe0 · Martin Kurečka / Plumed AlphaFold

Oct 10, 2019
- astyle · b7049153
  carlocamilloni authored 5 years ago
  
  b7049153
- Fixes to size of grid used by fourier transform object · cfefc554
  Gareth Tribello authored 5 years ago
  
  cfefc554
Oct 09, 2019
- astyle · 71483b76
  carlocamilloni authored 5 years ago
  
  71483b76
- Fixed code for fourier transform and fixed regtest · d1982bd0
  Gareth Tribello authored 5 years ago
  
  d1982bd0
- astyle · 6b889160
  carlocamilloni authored 5 years ago
  
  6b889160
- FT: fix example · 2cb65b4c
  carlocamilloni authored 5 years ago
  
  2cb65b4c
Sep 09, 2019
- Small fix to convertToFes where ceil was used instead of round · cb74cd45
  Gareth Tribello authored 5 years ago
  
  cb74cd45
- Small fix to convertToFes where ceil was used instead of round · d27e3c0f
  Gareth Tribello authored 5 years ago
  
  d27e3c0f
Sep 04, 2019
- astyle · 8b4c26dd
  Giovanni Bussi authored 5 years ago
  
  8b4c26dd
- Addresses issue #441. The problem with convert to fes and periodic variables · 639dca7a
  Gareth Tribello authored 5 years ago
  
  639dca7a
Aug 30, 2019
- astyle · 434cbf64
  carlocamilloni authored 5 years ago
  
  434cbf64
Aug 29, 2019
- Addresses issue #441. The problem with convert to fes and periodic variables · 6603749d
  Gareth Tribello authored 5 years ago
  
  6603749d
Jul 23, 2019
- Ran astyle · fd473bfd
  Gareth Tribello authored 5 years ago
  
  fd473bfd
- Fixed a number of errors in the examples in the manual · 16958c3a
  Gareth Tribello authored 5 years ago
  
  16958c3a
Mar 19, 2019
- astyle · 12f72f1b
  Giovanni Bussi authored 6 years ago
  
  12f72f1b
Mar 15, 2019
- Fixed multiple spelling mistakes in manual · b6e6f022
  Gareth Tribello authored 6 years ago
  
  b6e6f022
Jan 11, 2019

Travis CI User authored 6 years ago

This commit contains changes automatically generated by plumedbot on Travis-ci.

17ab3ec1

Plumedbot commit: headers · e4152a66

Travis CI User authored 6 years ago

This commit contains changes automatically generated by plumedbot on Travis-ci.

e4152a66

Dec 14, 2018
- Fixed spellings in manual · abf92587
  Gareth Tribello authored 6 years ago
  
  abf92587
Dec 13, 2018
- Fixed some style issues from cppcheck · ea652f07
  Giovanni Bussi authored 6 years ago
  
  ea652f07
Oct 10, 2018
- removed USE_ALL_DATA from examples · 623fc970
  carlocamilloni authored 6 years ago
  
  - dumpgrid - pca - mds
  623fc970
Jul 26, 2018
- headers · 5a9550f8
  Giovanni Bussi authored 6 years ago
  
  5a9550f8
Jul 11, 2018
- unique_ptr: removed delete statement · 7acbdce5
  Giovanni Bussi authored 6 years ago
  
  7acbdce5
- Ran astyle · 0f7808df
  Gareth Tribello authored 6 years ago
  
  0f7808df
Jul 05, 2018

vesselRegister().create() now returns a unique_ptr · c137e70f

Giovanni Bussi authored 6 years ago

Notice that this change required a bit of hacking.
setAveragingAction now takes a std::unique_ptr as an argument.

I think ownership is clearer now since it is explicitly declared.

c137e70f

Jun 28, 2018
- Made it so that WHAM histogram is only output by one replica · 103ccc3c
  Gareth Tribello authored 6 years ago
  
  103ccc3c
May 13, 2018
- Action should now provide examples in plumedfile sections · 5d19bbbd
  Giovanni Bussi authored 6 years ago
  
  (still a stylistic warning)
  5d19bbbd
Apr 26, 2018
- Eliminated many unnecessary File::close() · 9bc4323b
  Giovanni Bussi authored 6 years ago
  
  Notice that files are closed on destructor anyway.
  9bc4323b
Apr 16, 2018
- fixed warnings · 4a20a9cc
  Giovanni Bussi authored 6 years ago
  
  4a20a9cc
- unique_ptr: analysis + gridtools · 1f4b2ca1
  Giovanni Bussi authored 6 years ago
  
  1f4b2ca1
Mar 12, 2018
- headers · 29903b06
  Giovanni Bussi authored 7 years ago
  
  29903b06
- Copyright years to 2018 · 78f6578b
  Giovanni Bussi authored 7 years ago
  
  78f6578b
Mar 11, 2018

Plumedbot commit: headers · fb3a9741

Travis CI User authored 7 years ago

This commit contains changes automatically generated by plumedbot on Travis-ci.

fb3a9741

Plumedbot commit: headers · b1493d19

Travis CI User authored 7 years ago

This commit contains changes automatically generated by plumedbot on Travis-ci.

b1493d19

Feb 19, 2018
- Fixed include statement · d30f9471
  Giovanni Bussi authored 7 years ago
  
  d30f9471
Feb 11, 2018

Fixed many warnings · 33d48ae6

Giovanni Bussi authored 7 years ago

I went through cppcheck warnings (style) and fixes those I understood.
Mostly issues related to scope of variables.

33d48ae6

Oct 31, 2017
- unique_ptr: gridtools · c23bae39
  Giovanni Bussi authored 7 years ago
  
  Not complete yet
  c23bae39
Oct 08, 2017
- cppcheck: uninitialized variables · 50dca7dc
  Giovanni Bussi authored 7 years ago
  
  50dca7dc
Jul 23, 2017
- headers · 880ed01e
  Giovanni Bussi authored 7 years ago
  
  Regenerated after c40b96fe
  880ed01e
- headers · 239e2c02
  Giovanni Bussi authored 7 years ago
  
  Regenerated after c40b96fe
  239e2c02