2012-02-02 |
Szilard Pall | fixed confusing nonbonded kernel pointer initialization |
tree | commitdiff |
2012-02-01 |
Christoph Junghans | initialize adress_do_hybridpairs=FALSE by default |
tree | commitdiff |
2012-02-01 |
David van der Spoel | Merge "g_sans - tool to compute SANS spectra" into... |
tree | commitdiff |
2012-01-31 |
Martin Hoefling | implemented -intra switch for g_dist (now based on... |
tree | commitdiff |
2012-01-31 |
David van der Spoel | Changed order of parameters in top file |
tree | commitdiff |
2012-01-25 |
Alexey Shvetsov | g_sans - tool to compute SANS spectra |
tree | commitdiff |
2012-01-25 |
Roland Schulz | Merge "Merge release-4-5-patches into release-4-6"... |
tree | commitdiff |
2012-01-25 |
Berk Hess | Merge "Added two new bonded functions." into release-4-6 |
tree | commitdiff |
2012-01-25 |
David van der Spoel | Added two new bonded functions. |
tree | commitdiff |
2012-01-25 |
Christoph Junghans | make gromacs manual build again |
tree | commitdiff |
2012-01-24 |
Sebastian Fritsch | Merge "document AdResS mdp options" into release-4-6 |
tree | commitdiff |
2012-01-23 |
Carsten Kutzner | New tool that extracts dye dynamics from trajectories |
tree | commitdiff |
2012-01-19 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-01-18 |
Roland Schulz | Revert "Replace stderr by stdout in editconf terminal... |
tree | commitdiff |
2012-01-17 |
David van der Spoel | Replace stderr by stdout in editconf terminal output... |
tree | commitdiff |
2012-01-15 |
Christoph Junghans | Merge "Added CMake Toolchain file for BlueGene/P" into... |
tree | commitdiff |
2012-01-13 |
Roland Schulz | Merge "Fixed MSVC compiling with plug-in support" into... |
tree | commitdiff |
2012-01-10 |
Christoph Junghans | Adds AdResS feature to gromacs |
tree | commitdiff |
2012-01-10 |
Mark Abraham | Fixed use of isfinite and _isfinite |
tree | commitdiff |
2012-01-09 |
Mark Abraham | Fixed use of _snprintf_s with MSVC |
tree | commitdiff |
2012-01-08 |
Roland Schulz | Check for VMD plugins that they are at least abi-version 10 |
tree | commitdiff |
2012-01-07 |
Mark Abraham | Made use of VMD plugins more robust |
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 |
2011-12-26 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
tree | commitdiff |
2011-12-20 |
Carsten Kutzner | Added -dhdl to tpr file list, fixes #855 |
tree | commitdiff |
2011-12-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2011-12-20 |
Roland Schulz | Merge "Using MinSizeRel configuration and Release targe... |
tree | commitdiff |
2011-12-19 |
Carsten Kutzner | Enforced rotation |
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 "Converted macro usage for readability" into... |
tree | commitdiff |
2011-12-13 |
Mark Abraham | Converted macro usage for readability |
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 |
2011-12-12 |
Mark Abraham | Fixed macros that ended in semicolons |
tree | commitdiff |
2011-12-11 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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 "Added an option to easily compile contrib progra... |
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 |
2011-12-03 |
Roland Schulz | Remove RETSIGTYPE. C89 defines return value to be void. |
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 |
2011-11-30 |
Roland Schulz | Merge "Merge remote-tracking branch 'gerrit/release... |
tree | commitdiff |
2011-11-28 |
Roland Schulz | Fix FFTW API usage |
tree | commitdiff |
2011-11-27 |
Roland Schulz | Merge "Fixes inconsistent spelling of Git cmake variabl... |
tree | commitdiff |
2011-11-27 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
tree | commitdiff |
2011-11-27 |
Roland Schulz | Merge "Replace '_' in all mdp options to '-'" into... |
tree | commitdiff |
2011-11-27 |
Roland Schulz | Merge "Cleaning up some bad coding practices" into... |
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 |
2011-11-27 |
Roland Schulz | Merge "Added support for submission to cdash servers... |
tree | commitdiff |
2011-11-25 |
Roland Schulz | Merge "Changed cryptic variable names" into release-4-6 |
tree | commitdiff |
2011-11-25 |
Roland Schulz | Cleaning up some bad coding practices |
tree | commitdiff |
2011-11-25 |
Roland Schulz | Fixes inconsistent spelling of Git cmake variables |
tree | commitdiff |
2011-11-25 |
Mark Abraham | Changed cryptic variable names |
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 |
Roland Schulz | Added an option to easily compile contrib programs... |
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 |
Alexey Shvetsov | Replace '_' in all mdp options to '-' |
tree | commitdiff |
2011-10-20 |
Christoph Junghans | Merge "Changed default value for g_anaeig -last to... |
tree | commitdiff |
2011-10-20 |
Christoph Junghans | Merge "Fixes for GB kernel" into release-4-5-patches |
tree | commitdiff |
2011-10-20 |
Christoph Junghans | Merge "Add CMakeLists.txt.user to gitignore" into relea... |
tree | commitdiff |
2011-10-19 |
Teemu Murtola | Merge "fixed pull constraining doing nothing, fixes... |
tree | commitdiff |
2011-10-15 |
Christoph Junghans | Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6 |
tree | commitdiff |
2011-10-14 |
Roland Schulz | call to gmx_mtop_generate_local_top is only required... |
tree | commitdiff |
2011-10-13 |
Mark Abraham | Changed default value for g_anaeig -last to -1 |
tree | commitdiff |
2011-10-13 |
Berk Hess | fixed pull constraining doing nothing, fixes #825 |
tree | commitdiff |
2011-10-11 |
Roland Schulz | Fixes MPI_GROUP_EMPTY for tMPI |
tree | commitdiff |
2011-10-06 |
Szilárd Páll | Merge "Removed duplicate CMake functionality" into... |
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 |
2011-10-05 |
Roland Schulz | Only create group if part of load communicator and... |
tree | commitdiff |
2011-09-27 |
Mark Abraham | Removed autotools and references to them. |
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... |
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