Commits · a4ef4f738863739ec35a68393688f15fb1838ca4 · Martin Kurečka / Plumed AlphaFold

Mar 13, 2013
- Enable Grid output formatting · a4ef4f73
  davidebr authored 12 years ago
  
  a4ef4f73
- getMinValue and getMaxValue in grid · a7e2f1d8
  davidebr authored 12 years ago
  
  a7e2f1d8
Jan 25, 2013
- Added consistency check in grid · b540e765
  Giovanni Bussi authored 12 years ago
  b540e765
- Removed nonstandard ";" · 90fec10a
  Giovanni Bussi authored 12 years ago
  
  90fec10a
Jan 24, 2013
- Several warnings fixed · 0da5fae1
  Giovanni Bussi authored 12 years ago
  
  0da5fae1
Jan 23, 2013
- Improved grids to allow free energy projections · ef3303cb
  Giovanni Bussi authored 12 years ago
  
  ef3303cb
Dec 17, 2012
- Moved PlumedException -> Exception · 71bcc2a4
  Giovanni Bussi authored 12 years ago
  
  71bcc2a4
- Renamed PlumedFile -> File · 7da88edd
  Giovanni Bussi authored 12 years ago
  7da88edd
- Fixed namespace · ee4ff73d
  Giovanni Bussi authored 12 years ago
  ee4ff73d
Dec 06, 2012
- Put analysis functions into a separate module · 208b0455
  Gareth Tribello authored 12 years ago
  
  208b0455
- Renamed basic/ into core/ · acba5d7c
  Giovanni Bussi authored 12 years ago
  
  acba5d7c
Nov 23, 2012
- Source tree reorganization · 07d51f5a
  Giovanni Bussi authored 12 years ago
  07d51f5a
Jul 20, 2012
- PLUMED -> plumed · 7e5e9cb7
  Giovanni Bussi authored 12 years ago
  7e5e9cb7
Jul 19, 2012
- License related stuff · d22394b4
  Giovanni Bussi authored 12 years ago
  d22394b4
Jul 06, 2012
- Rewrote the documentation for a number of things largely copying stuff · b421a552
  Gareth Tribello authored 12 years ago
  b421a552
Jun 25, 2012
- Made it so that you can used field cv histograms with coordination numbers · f86ad8d2
  Gareth Tribello authored 13 years ago
  f86ad8d2
May 04, 2012
- Fix · 439c8fd5
  Giovanni Bussi authored 12 years ago
  439c8fd5
- Optimization · 8f4ed84e
  Giovanni Bussi authored 12 years ago
  8f4ed84e
Apr 20, 2012
- Added routine to get volume of a grid cell so that I can integrate over the · 215de66e
  Gareth Tribello authored 13 years ago
  215de66e
Jan 19, 2012
- fixed missing include files · c63f823e
  Giovanni Bussi authored 13 years ago
  
  c63f823e
Jan 11, 2012
- Several warning fixed · b3a9cd90
  Giovanni Bussi authored 13 years ago
  b3a9cd90
Jan 09, 2012
- moved method to read grid from file to class Grid · 2f3881b3
  Max Bonomi authored 13 years ago
  
  2f3881b3
- Some other assert() replaced with plumed_assert · 4469ad26
  Giovanni Bussi authored 13 years ago
  4469ad26
Jan 05, 2012
- tentatively moved the method to read a grid from file to the class Tools. · 64dc30af
  Max Bonomi authored 13 years ago
  64dc30af
- tentative read grid from file · e17f10de
  Max Bonomi authored 13 years ago
  
  e17f10de
- add blank line to Grid printout to use with gnuplot · 62aad6c6
  Max Bonomi authored 13 years ago
  
  62aad6c6
- add methods to write Grid and SparseGrid on file. · e1ff33cd
  Max Bonomi authored 13 years ago
  
  e1ff33cd
Jan 04, 2012
- Optimizing metad · 12b578f2
  Giovanni Bussi authored 13 years ago
  12b578f2
Jan 03, 2012
- Fixed compiler warnings · 1738dbe3
  Giovanni Bussi authored 13 years ago
  
  1738dbe3
- Sparse grid simplified · 9b39e189
  Giovanni Bussi authored 13 years ago
  9b39e189
- Using pass-by-const-reference · 9407f7bf
  Giovanni Bussi authored 13 years ago
  9407f7bf
- Fixed const-correctness in Grid and SparseGrid · 4c68f9f1
  Giovanni Bussi authored 13 years ago
  4c68f9f1
Jan 02, 2012
- add FILE for Gaussian file and cleaned some std::vector resizing · b0fcccc6
  Max Bonomi authored 13 years ago
  
  b0fcccc6
- still something is not working with the meta+grid. The stupid driver · 662118ac
  Max Bonomi authored 13 years ago
  662118ac
- Add GRID support. Still to be tested. Slight modification in the Grid · 7cb89c5a
  Max Bonomi authored 13 years ago
  7cb89c5a
Jan 01, 2012
- cosmetic changes · daaad6da
  Max Bonomi authored 13 years ago
  
  daaad6da
Jul 26, 2011
- Again fixes for AIX · 4e51dc8c
  Giovanni Bussi authored 13 years ago
  4e51dc8c
Jul 25, 2011
- Add a flag to store and manipulate derivatives on the grid also when · 8d2f4cd0
  Max Bonomi authored 13 years ago
  8d2f4cd0
- Fixed bugs. It seems to be working. Methods to read and write from · e3aa7849
  Max Bonomi authored 13 years ago
  e3aa7849
Jul 24, 2011
- Having a separate class for Spline was a real mess. I switched back · a07e854b
  Max Bonomi authored 13 years ago
  a07e854b

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