Commits · bae91ef3d05aba074beb4f06fa2ede85ce8ed121 · Martin Kurečka / Plumed AlphaFold

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Feb 11, 2013
- Fixed makefile · bae91ef3
  Giovanni Bussi authored Feb 11, 2013
  
  bae91ef3
Feb 07, 2013
- Patched files are sorted · d1111c17
  Giovanni Bussi authored Feb 05, 2013
  d1111c17
- Makefile patching in GROMACS is now done by hand · 89bcc7a3
  Giovanni Bussi authored Feb 05, 2013
  
  89bcc7a3
- Simplified Plumed.inc files · f98934b0
  Giovanni Bussi authored Feb 05, 2013
  f98934b0
Feb 02, 2013
- Made it so that vessel infrastructure can be used for fields · cbd4da0c
  Gareth Tribello authored Feb 02, 2013
  cbd4da0c
- Changed docs so as to point out that RDF is now DISTANCES and ADF is now ANGLES · 692cca29
  Gareth Tribello authored Feb 02, 2013
  
  692cca29
- Added new multicolvar for Angles · a3b62b93
  Gareth Tribello authored Feb 02, 2013
  
  a3b62b93
- Added functionality to read three body terms using GROUP style keyword · 647fcee7
  Gareth Tribello authored Feb 01, 2013
  647fcee7
- Can now deal with weights in multicolvars · 877e521a
  Gareth Tribello authored Feb 01, 2013
  877e521a
Feb 01, 2013
- Removed unused directory include/ · a42f4960
  Giovanni Bussi authored Feb 01, 2013
  
  a42f4960
- Removed unused flag · 6bd008f0
  Giovanni Bussi authored Feb 01, 2013
  
  6bd008f0
Jan 31, 2013
- Fixed espresso patch so as to allow static/dynamic/runtime binding · b4f819c6
  Giovanni Bussi authored Jan 31, 2013
  
  b4f819c6
Jan 30, 2013
- Added separate labels to values created from vessels · 3ff51df7
  Gareth Tribello authored Jan 29, 2013
  3ff51df7
- Removed numerical derivative test from rt39 and rt40 · 0b9d23de
  Gareth Tribello authored Jan 30, 2013
  0b9d23de
- Fixed regtest · d31671a1
  Giovanni Bussi authored Jan 30, 2013
  d31671a1
- Fixed small bug in Simple RMSD derivatives · d2d7db2c
  Gareth Tribello authored Jan 30, 2013
  
  d2d7db2c
Jan 29, 2013
- Fix · 624e91e0
  Giovanni Bussi authored Jan 29, 2013
  624e91e0
Jan 25, 2013
- Fixed formula · c2d81cf7
  Giovanni Bussi authored Jan 25, 2013
  
  c2d81cf7
- A couple of assertions transformed so to be used only in dbg · 6cdaa47b
  Giovanni Bussi authored Jan 25, 2013
  6cdaa47b
- Added consistency check in grid · b540e765
  Giovanni Bussi authored Jan 25, 2013
  b540e765
- Fixed qe patch · caa370d1
  Giovanni Bussi authored Jan 25, 2013
  caa370d1
- Fixed problem with log file · 47a8a418
  Giovanni Bussi authored Jan 25, 2013
  47a8a418
- Fixed wrong use of int() · ad9916ac
  Giovanni Bussi authored Jan 25, 2013
  ad9916ac
- Removed nonstandard ";" · 90fec10a
  Giovanni Bussi authored Jan 25, 2013
  
  90fec10a
- Base class needs virtual destructors · b0cdc28f
  Giovanni Bussi authored Jan 25, 2013
  
  b0cdc28f
Jan 24, 2013
- A big reworking of multicolvars that makes the naming of the output values easier to understand · f2fef1e8
  Gareth Tribello authored Jan 21, 2013
  f2fef1e8
- Another bunch of warnings from cppcheck, fixed · 08f8562c
  Giovanni Bussi authored Jan 24, 2013
  
  08f8562c
- Added possibility to specify FMT in METAD · 095bcbb6
  Giovanni Bussi authored Jan 24, 2013
  095bcbb6
- Several warnings fixed · 0da5fae1
  Giovanni Bussi authored Jan 24, 2013
  
  0da5fae1
Jan 23, 2013
- Regtests · 73b96e13
  Giovanni Bussi authored Jan 17, 2013
  
  73b96e13
- SQUASHING COMMITS for sum_hills except regtest · a7beec00
  davidebr authored Dec 07, 2012
  a7beec00
- Improved kernel · eb4b4c49
  Giovanni Bussi authored Jan 23, 2013
  
  eb4b4c49
- Improved grids to allow free energy projections · ef3303cb
  Giovanni Bussi authored Jan 23, 2013
  
  ef3303cb
- Added tool to parse a vector from cltools · a0ad97d8
  Giovanni Bussi authored Jan 23, 2013
  
  a0ad97d8
- Added possibility to read one line at a time · e674133c
  Giovanni Bussi authored Jan 23, 2013
  
  e674133c
- Small fixes · a80e3d96
  Giovanni Bussi authored Jan 23, 2013
  
  a80e3d96
- Fixed header · 43ba7266
  Giovanni Bussi authored Jan 23, 2013
  
  43ba7266
Jan 22, 2013
- patch gmx460 corrected and tested the reproducibility of a WTE run · 35caaf49
  Carlo Camilloni authored Jan 22, 2013
  35caaf49
- Hills not dumped plus regtests · 7ed4090b
  davidebr authored Jan 22, 2013
  7ed4090b
Jan 21, 2013
- better manual for the Walls · 4156545e
  Carlo Camilloni authored Jan 21, 2013
  
  4156545e