Commits · fe7209f9af982ee6076d18e12d008b759888defb · Martin Kurečka / Plumed AlphaFold

Browse files

Dec 08, 2018
- rt-jc: decreased trajectory size · fe7209f9
  carlocamilloni authored Dec 08, 2018
  
  fe7209f9
- isdb jc: improve num stability · 92bf5900
  carlocamilloni authored Dec 08, 2018
  
  92bf5900
- astle · 7e9a4541
  carlocamilloni authored Dec 08, 2018
  
  7e9a4541
- isdb: simplified regtests to avoid numerical errors · 35fb167a
  carlocamilloni authored Dec 08, 2018
  
  35fb167a
- isdb: improve jcoupling in preparation of more changes · 0f7a62a0
  carlocamilloni authored Dec 08, 2018
  0f7a62a0
- alphabeta cv: more test · edad22f9
  carlocamilloni authored Dec 08, 2018
  
  edad22f9
- secondary structures: more tests · e7d11e23
  carlocamilloni authored Dec 08, 2018
  
  e7d11e23
Dec 07, 2018
- Test fix #417 (#418) · 0df732e0
  Giovanni authored Dec 07, 2018
  
  0df732e0
- Merge branch 'v2.3' into v2.4 · b354ef88
  Giovanni Bussi authored Dec 07, 2018
  
  b354ef88
- changelog · 31520cec
  Giovanni Bussi authored Dec 07, 2018
  
  31520cec
- Using functions to make sure initialization order is correct · 0602373a
  Giovanni Bussi authored Dec 07, 2018
  
  0602373a
- Tentative fix for conda build · 25cbe1c0
  Giovanni Bussi authored Dec 06, 2018
  25cbe1c0
- Fixed comment in patch (see #414) · 0966c987
  Giovanni Bussi authored Dec 07, 2018
  
  0966c987
- Merge branch 'v2.3' into v2.4 · 3c92715e
  Giovanni Bussi authored Dec 07, 2018
  
  3c92715e
- Comment on virial bug (see #414) · 1a4c2255
  Giovanni Bussi authored Dec 07, 2018
  
  1a4c2255
- changelog · 7f3b188a
  Giovanni Bussi authored Dec 07, 2018
  
  7f3b188a
- Merge branch 'v2.3' into v2.4 · 067de8c2
  Giovanni Bussi authored Dec 07, 2018
  
  067de8c2
- changelog · 6365c1a5
  Giovanni Bussi authored Dec 07, 2018
  6365c1a5
- small fix in testing C/Fortran static linking · 133537a1
  Giovanni Bussi authored Nov 07, 2018
  133537a1
- user docs fixes · 601553cc
  carlocamilloni authored Oct 15, 2018
  
  601553cc
- OSX + homebrew + MPI constantly failes on travis, I make it not compulsory · 3a5d2125
  Giovanni Bussi authored Nov 07, 2018
  
  3a5d2125
- fixed warning · 65eb5a92
  Giovanni Bussi authored Nov 29, 2018
  
  65eb5a92
- Small fix in LDFLAGS when doing coverage · d14decf2
  Giovanni Bussi authored Oct 08, 2018
  d14decf2
- Merge branch 'v2.3' into v2.4 · d66fffda
  carlocamilloni authored Dec 07, 2018
  
  d66fffda
- fixed · 5f40f5a4
  carlocamilloni authored Dec 07, 2018
  
  5f40f5a4
- Merge branch 'v2.3' into v2.4 · 487d0cf0
  carlocamilloni authored Dec 07, 2018
  
  487d0cf0
- MultiColvar: improve openmp performance · 0a82d573
  carlocamilloni authored Dec 07, 2018
  
  0a82d573
Dec 06, 2018
- Merge branch 'v2.3' into v2.4 · e6d4c24e
  carlocamilloni authored Dec 06, 2018
  
  e6d4c24e
- v2.3: preparation for new (latest) version · d02ae642
  carlocamilloni authored Dec 06, 2018
  
  d02ae642
- EEFSolv: fix an openMP regression · ca5ceeb9
  carlocamilloni authored Dec 06, 2018
  
  ca5ceeb9
- Merge branch 'v2.3' into v2.4 · bc0e92b4
  carlocamilloni authored Dec 06, 2018
  
  bc0e92b4
Dec 05, 2018
- Fix an OpenMP performace regression for Coordination and all multicolvar · 5be3b48f
  carlocamilloni authored Dec 05, 2018
  
  5be3b48f
Nov 29, 2018
- fixed warning · 0af4332d
  Giovanni Bussi authored Nov 29, 2018
  
  0af4332d
Nov 27, 2018
- doc · fff193e3
  carlocamilloni authored Nov 27, 2018
  
  fff193e3
- Merge branch 'v2.3' into v2.4 · 29aee26b
  carlocamilloni authored Nov 27, 2018
  
  29aee26b
- CS2Backbone: backported a fix for more than 2 chains · 87930377
  carlocamilloni authored Nov 27, 2018
  
  87930377
- CS2Backbone: fix a bug when using more than 2 chains · fba9b149
  carlocamilloni authored Nov 27, 2018
  
  fba9b149
Nov 14, 2018
- doc · d4140cd6
  carlocamilloni authored Nov 14, 2018
  
  d4140cd6
- gromacs 2018.4 · 07d6dc93
  carlocamilloni authored Nov 14, 2018
  
  07d6dc93
Nov 09, 2018
- Merge branch 'v2.4-namd-patches3' into v2.4 · f7212846
  Giovanni Bussi authored Nov 09, 2018
  
  f7212846