| 2012-02-25 |
David van der Spoel | Merge "Minor formatting fixes to .mdp option documentat... |
tree | commitdiff |
| 2012-02-23 |
Mark Abraham | Fix pdb2gmx -cmap in corner cases |
tree | commitdiff |
| 2012-02-21 |
Teemu Murtola | Merge "Use Git server (mirror) to avoid fetching proble... |
tree | commitdiff |
| 2012-02-13 |
Sander Pronk | Fixed an allocation issue with dH histograms. |
tree | commitdiff |
| 2012-02-11 |
Szilárd Páll | Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5... |
tree | commitdiff |
| 2012-02-10 |
Mark Abraham | Fixed g_sham using more than three dimensions |
tree | commitdiff |
| 2012-02-10 |
Mark Abraham | Integer multiplication that checks for overflow |
tree | commitdiff |
| 2012-02-10 |
Christoph Junghans | Merge "Fixed bug with COM motion removal on part of... |
tree | commitdiff |
| 2012-02-06 |
Berk Hess | Fixed bug with COM motion removal on part of the system |
tree | commitdiff |
| 2012-02-05 |
Roland Schulz | Fix ICC on Windows Build |
tree | commitdiff |
| 2012-02-02 |
Szilárd Páll | Merge "Append all ICC Performance flags only to Release... |
tree | commitdiff |
| 2012-02-02 |
Teemu Murtola | Merge "Revert "Fix ICC on Windows Build"" into release... |
tree | commitdiff |
| 2012-02-01 |
David van der Spoel | Merge "Fixed error message to identify the correct... |
tree | commitdiff |
| 2012-02-01 |
David van der Spoel | Merge "Fixed trjconv -sub" into release-4-5-patches |
tree | commitdiff |
| 2012-02-01 |
David van der Spoel | Merge "Improved error message" into release-4-5-patches |
tree | commitdiff |
| 2012-02-01 |
Mark Abraham | Fixed trjconv -sub |
tree | commitdiff |
| 2012-02-01 |
Mark Abraham | Fixed error message to identify the correct file |
tree | commitdiff |
| 2012-02-01 |
Christoph Junghans | Merge "Fix signed/unsigned warnings" into release-4... |
tree | commitdiff |
| 2012-02-01 |
Mark Abraham | Improved error message |
tree | commitdiff |
| 2012-01-31 |
Roland Schulz | Revert "Fix ICC on Windows Build" |
tree | commitdiff |
| 2012-01-31 |
David van der Spoel | Merge "Fix ICC on Windows Build" into release-4-5-patches |
tree | commitdiff |
| 2012-01-31 |
Mark Abraham | Merge "Corrected use of ?: in conditional" into release... |
tree | commitdiff |
| 2012-01-31 |
Roland Schulz | Fix signed/unsigned warnings |
tree | commitdiff |
| 2012-01-31 |
Mark Abraham | Made error message even more explicit |
tree | commitdiff |
| 2012-01-31 |
Roland Schulz | Fix ICC on Windows Build |
tree | commitdiff |
| 2012-01-31 |
Mark Abraham | Corrected use of ?: in conditional |
tree | commitdiff |
| 2012-01-25 |
Roland Schulz | Merge "New approach for GerritBuild script" into releas... |
tree | commitdiff |
| 2012-01-20 |
David van der Spoel | Merge "Fixed timing measurements." into release-4-5... |
tree | commitdiff |
| 2012-01-17 |
Szilard Pall | Fixed timing measurements. |
tree | commitdiff |
| 2012-01-16 |
Sander Pronk | Thread affinity and x86 assembly fixes for thread_mpi |
tree | commitdiff |
| 2012-01-15 |
Christoph Junghans | Merge "Added CMake Toolchain file for BlueGene/P" into... |
tree | commitdiff |
| 2012-01-10 |
Mark Abraham | Fixed use of isfinite and _isfinite |
tree | commitdiff |
| 2012-01-04 |
Christoph Junghans | Merge "Documented the function of g_cluster -cl -noav... |
tree | commitdiff |
| 2012-01-04 |
David van der Spoel | Introduced fatal error in grompp for incorrect use... |
tree | commitdiff |
| 2011-12-29 |
Mark Abraham | Documented the function of g_cluster -cl -noav |
tree | commitdiff |
| 2011-12-27 |
Roland Schulz | Merge "Added -dhdl to tpr file list, fixes #855" into... |
tree | commitdiff |
| 2011-12-20 |
Carsten Kutzner | Added -dhdl to tpr file list, fixes #855 |
tree | commitdiff |
| 2011-12-20 |
Roland Schulz | Merge "Using MinSizeRel configuration and Release targe... |
tree | commitdiff |
| 2011-12-15 |
Roland Schulz | Using MinSizeRel configuration and Release target on... |
tree | commitdiff |
| 2011-12-14 |
Roland Schulz | Merge "Re-fixed static linking of maths libraries under... |
tree | commitdiff |
| 2011-12-13 |
Roland Schulz | Merge "Relaxed some assumptions about trajectory times... |
tree | commitdiff |
| 2011-12-13 |
Mark Abraham | Relaxed some assumptions about trajectory times |
tree | commitdiff |
| 2011-12-11 |
Roland Schulz | Merge "Set -DMPI only if compiled for FAH" into release... |
tree | commitdiff |
| 2011-12-11 |
Roland Schulz | Fixing MSVC unsigned/signed warnings |
tree | commitdiff |
| 2011-12-09 |
Roland Schulz | Only check those atoms for PBC which are part of select... |
tree | commitdiff |
| 2011-12-08 |
Roland Schulz | Merge "Fix selection parsing in double precision."... |
tree | commitdiff |
| 2011-12-08 |
Roland Schulz | Merge "Avoid possible warnings if HUGE_VAL != infinity... |
tree | commitdiff |
| 2011-12-01 |
Teemu Murtola | Fix selection parsing in double precision. |
tree | commitdiff |
| 2011-12-01 |
Teemu Murtola | Avoid possible warnings if HUGE_VAL != infinity. |
tree | commitdiff |
| 2011-11-28 |
Roland Schulz | Fix FFTW API usage |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge "Initialize variables to make GCC 4.6 not complai... |
tree | commitdiff |
| 2011-11-27 |
Berk Hess | fixed pull constraint periodicity consistency check... |
tree | commitdiff |
| 2011-11-24 |
Roland Schulz | Initialize variables to make GCC 4.6 not complain |
tree | commitdiff |
| 2011-11-24 |
Mark Abraham | Only analyse angle transitions for dihedral angles |
tree | commitdiff |
| 2011-11-24 |
Roland Schulz | Merge "Fixed g_angle -f -or to copy times from -f to... |
tree | commitdiff |
| 2011-11-24 |
Mark Abraham | Added protective preprocessor directives |
tree | commitdiff |
| 2011-11-23 |
Mark Abraham | Fixed g_angle -f -or to copy times from -f to -or |
tree | commitdiff |
| 2011-11-22 |
Carsten Kutzner | Actually -cpi and -bcpo must not be identical |
tree | commitdiff |
| 2011-11-15 |
Berk Hess | fixed dd load print frequency with nsteps=-1, fixes... |
tree | commitdiff |
| 2011-11-08 |
Christoph Junghans | Merge "Fixed bug #830 (segv in do_dssp)" into release... |
tree | commitdiff |
| 2011-11-08 |
Kasson | Merge "Fix for GB, double, SSE2 and optimized kernels... |
tree | commitdiff |
| 2011-11-02 |
Mark Abraham | Fix for GB, double, SSE2 and optimized kernels |
tree | commitdiff |
| 2011-10-31 |
Carsten Kutzner | Fixed bug #830 (segv in do_dssp) |
tree | commitdiff |
| 2011-10-27 |
Mark Abraham | Made reading of binary matrices more robust |
tree | commitdiff |
| 2011-10-20 |
Christoph Junghans | Merge "Fixes for GB kernel" into release-4-5-patches |
tree | commitdiff |
| 2011-10-19 |
Teemu Murtola | Merge "fixed pull constraining doing nothing, fixes... |
tree | commitdiff |
| 2011-10-14 |
Roland Schulz | call to gmx_mtop_generate_local_top is only required... |
tree | commitdiff |
| 2011-10-13 |
Berk Hess | fixed pull constraining doing nothing, fixes #825 |
tree | commitdiff |
| 2011-10-06 |
Berk Hess | fixed segv in parallel replica exchange |
tree | commitdiff |
| 2011-10-06 |
Mark Abraham | Fixes for GB kernel |
tree | commitdiff |
| 2011-09-27 |
Rossen Apostolov | Merge "Removed CMake warning for recent OpenMPI version... |
tree | commitdiff |
| 2011-09-26 |
Mark Abraham | Dropped some hints in the documentation |
tree | commitdiff |
| 2011-09-21 |
David van der Spoel | Commented out part of this new program that was not... |
tree | commitdiff |
| 2011-09-21 |
David van der Spoel | Fixed documentation issue described in redmine issue... |
tree | commitdiff |
| 2011-09-21 |
David van der Spoel | Fixed documentation issue described in redmine issue... |
tree | commitdiff |
| 2011-09-19 |
Justin A. Lemkul | Fixed typos in documentation. |
tree | commitdiff |
| 2011-09-19 |
Sander Pronk | C89 fixes. |
tree | commitdiff |
| 2011-09-19 |
David van der Spoel | Fixed compilation issues |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Merge "Resolved gerrit issue https://gerrit.gromacs... |
tree | commitdiff |
| 2011-09-19 |
David van der Spoel | Resolved gerrit issue https://gerrit.gromacs.org/#chang... |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Added support for g_dos, g_hydorder and g_densorder... |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Fixed a bug in egbOBC and double precission. |
tree | commitdiff |
| 2011-09-19 |
Berk Hess | added grompp check for posres+pcoupl+refcoord_scaling=no |
tree | commitdiff |
| 2011-09-16 |
Rossen Apostolov | Merge "g_wham: fixed pullx.xvg reading issue with pull_... |
tree | commitdiff |
| 2011-09-16 |
Erik Lindahl | Merge "made allocation for LINCS with particle decompos... |
tree | commitdiff |
| 2011-09-16 |
Jochen Hub | g_wham: fixed pullx.xvg reading issue with pull_geometr... |
tree | commitdiff |
| 2011-09-15 |
Berk Hess | mdrun -multi -cpi now checks if simulations parts are... |
tree | commitdiff |
| 2011-09-15 |
Berk Hess | Merge "Introduced different options for pdb2gmx termini... |
tree | commitdiff |
| 2011-09-15 |
Mark Abraham | Fix trjconv -sub |
tree | commitdiff |
| 2011-09-15 |
Mark Abraham | Warning about trjconv -sub needing many files open |
tree | commitdiff |
| 2011-09-15 |
Mark Abraham | g_sham -mdata is an input file, not output file |
tree | commitdiff |
| 2011-09-14 |
Mark Abraham | Format warning better |
tree | commitdiff |
| 2011-09-13 |
Rossen Apostolov | Merge "Added warning line." into release-4-5-patches |
tree | commitdiff |
| 2011-09-13 |
Erik Lindahl | Introduced different options for pdb2gmx termini introd... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Fix pdb2gmx -debug and .hdb files" into release... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Fixed charge groups of CHARMM27 DNA/RNA terminal... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Added ACE and CT3 to CHARMM27 aminoacids.rtp... |
tree | commitdiff |
| 2011-09-13 |
David van der Spoel | Added warning line. |
tree | commitdiff |
| 2011-09-13 |
Roland Schulz | Merge "fixed grompp issue with decoupling and virtual... |
tree | commitdiff |
| 2011-09-13 |
Rossen Apostolov | Merge "Fixes for CMake finding FORTRAN library names... |
tree | commitdiff |
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