2013-01-18 |
Mark Abraham | Fixing copyright issues and code contributors |
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2013-01-17 |
Mark Abraham | Merge "Remove unnecessary ICC flags affecting performan... |
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2013-01-17 |
Mark Abraham | Merge "improved CUDA kernel performance by pre-loading... |
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2013-01-17 |
Christoph Junghans | Merge "Added note about make_edi and flooding in ED... |
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2013-01-17 |
Christoph Junghans | Merge "use the compiler version provided by CMake ... |
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2013-01-17 |
Mark Abraham | Merge branch 'release-4-5-patches' into release-4-6 |
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2013-01-17 |
Christoph Junghans | Merge "note the reason for auto-disabling GPU support... |
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2013-01-17 |
Mark Abraham | Merge "Added mdp option 'calc-lambda-neighbors'." into... |
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2013-01-17 |
Roland Schulz | Merge "clarify wording of GPU driver-related notes... |
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2013-01-17 |
Sander Pronk | Added mdp option 'calc-lambda-neighbors'. |
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2013-01-17 |
Sander Pronk | Fixes to free energy code, output & g_bar compatibility. |
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2013-01-16 |
Michael Shirts | fixes issues with pressure control and infrequent evalu... |
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2013-01-13 |
Mark Abraham | Merge "Added basic CPU topology information to cpuid... |
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2013-01-12 |
Christoph Junghans | Merge "Added missing export" into release-4-6 |
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2013-01-11 |
Erik Lindahl | Merge "made SHAKE work again with particle decompostion... |
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2013-01-11 |
Roland Schulz | Merge "time the GPU force clearing async launch overhea... |
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2013-01-11 |
Christoph Junghans | Merge "console and log output improvements" into releas... |
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2013-01-11 |
Christoph Junghans | Merge "Fix CUDA being quiet and mark all CUDA_* as... |
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2013-01-11 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2013-01-11 |
Roland Schulz | Merge "Handle compiler flags more flexibly" into releas... |
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2013-01-11 |
Christoph Junghans | Merge "Remove incorrect assert added by 05f9a740" into... |
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2013-01-10 |
Mark Abraham | Merge "Revert default rlist/rvdw/rcoulomb to valid... |
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2013-01-10 |
Erik Lindahl | Revert default rlist/rvdw/rcoulomb to valid values... |
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2013-01-07 |
Roland Schulz | Merge "Print out atom numbers in g_rmsf" into release... |
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2012-12-10 |
Christoph Junghans | Merge "force C++ linking of the gpu_utils" into release-4-6 |
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2012-12-10 |
Nicholas Breen | Minor spelling&header fixes for various man pages |
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2012-12-09 |
Roland Schulz | Merge "Fix build of template and other external code... |
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2012-12-06 |
Sebastian Fritsch | Re-enable AdResS feature |
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2012-11-29 |
Mark Abraham | Update copyright statements and change license to LGPL |
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2012-11-26 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-08 |
Christoph Junghans | Merge "auto-set nvcc host compiler with FindMPI detecti... |
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2012-11-08 |
Christoph Junghans | Merge "Relocated logic of simple-vs-GPU Ewald table... |
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2012-11-08 |
Erik Lindahl | Allow rcoulomb=rlistlong for PME with nstcalclr=1 |
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2012-11-08 |
Erik Lindahl | Infrastructure for new group kernels, and new C kernels |
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2012-11-06 |
Roland Schulz | Merge "Clarification of mdp_opt, add nstexpand defaults... |
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2012-11-06 |
Michael Shirts | Clarification of mdp_opt, add nstexpand defaults &... |
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2012-11-03 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-10-26 |
Christoph Junghans | Merge "enable GMX_PREFER_STATIC_LIBS CMake option on... |
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2012-10-26 |
Christoph Junghans | Merge "fix false positive gcc 4.7 warning in libxdrf... |
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2012-10-26 |
Roland Schulz | Merge "set the default for nstdhdl to 100" into release-4-6 |
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2012-10-26 |
Berk Hess | set the default for nstdhdl to 100 |
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2012-10-17 |
Kasson | Merge "Make Gromacs compile without C++ compiler" into... |
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2012-10-08 |
Berk Hess | made non-bonded potential shifts mdp options |
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2012-10-02 |
Szilard Pall | added Verlet scheme and NxN non-bonded functionality |
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2012-10-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-09-15 |
Kasson | Merge "Fix some memory leaks." into release-4-5-patches |
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2012-09-15 |
David van der Spoel | Merge "Adapted NMR related data to new pdb format.... |
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2012-09-14 |
Christoph Junghans | Merge "fixed recent bug with grompp check for P-R P... |
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2012-09-13 |
Berk Hess | fixed recent bug with grompp check for P-R P-coupling |
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2012-09-03 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-08-20 |
Christoph Junghans | Merge "Fixing of things associated with aminoacid.rtp... |
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2012-08-20 |
Christoph Junghans | Merge "Clean up some variable naming for eigensolving... |
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2012-08-20 |
Christoph Junghans | Merge "Explicitly noted an issue with use of genbox... |
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2012-08-18 |
Roland Schulz | Merge "fix AdResS and long-range electrostatics warning... |
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2012-08-13 |
Christoph Junghans | fix AdResS and long-range electrostatics warning |
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2012-07-13 |
Roland Schulz | Merge release-4.5-patches into HEAD |
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2012-07-05 |
Christoph Junghans | Merge "Don't rerun checks and be quiet 2nd time cmake... |
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2012-07-05 |
Christoph Junghans | Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6 |
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2012-07-05 |
Christoph Junghans | Merge "Finalized and extended Szilard's openMP cleanup... |
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2012-07-04 |
Roland Schulz | Merge "Add FindGROMACS.cmake to template's CMakeLists... |
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2012-07-04 |
Roland Schulz | Merge "Fixed bug in free energy calculation for Morse... |
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2012-07-04 |
Berk Hess | set default for rcoulomb, rvdw and rlist to -1 |
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2012-06-04 |
Michael Shirts | Merging in free energy, exp. ensemble, & andersen t... |
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2012-06-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-05-07 |
Teemu Murtola | Merge branch 'gerrit/release-4-5-patches' into release-4-6 |
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2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-04-29 |
David van der Spoel | Merge "changed number of iatoms for F_SETTLE from 1... |
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2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-04-27 |
Berk Hess | changed number of iatoms for F_SETTLE from 1 to 3 |
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2012-04-26 |
Berk Hess | Merge release-4-5-patches into release-4-6 |
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2012-04-25 |
Berk Hess | replaced PPPM by P3M-AD: a few lines in pme.c |
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2012-04-22 |
Roland Schulz | Merge "enable command line option cheking in mdrun... |
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2012-04-16 |
Roland Schulz | Merge "changed default for nstxout, nstvout and nstlog... |
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2012-04-16 |
Berk Hess | changed default for nstxout, nstvout and nstlog |
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2012-04-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-03-28 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-03-18 |
Christoph Junghans | Merge "Warnings against equilibrating with P-R P-coupli... |
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2012-03-18 |
Mark Abraham | Warnings against equilibrating with P-R P-coupling |
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2012-03-16 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-03-13 |
Christoph Junghans | Merge "Vibration spectra from velocity ACF or Normal... |
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2012-03-09 |
Roland Schulz | Merge "Improve FindFFTW" into release-4-6 |
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2012-02-29 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-02-23 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-21 |
Christoph Junghans | Merge "changed default epsilon-rf value to 0" into... |
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2012-02-20 |
Berk Hess | changed default epsilon-rf value to 0 |
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2012-02-11 |
Szilárd Páll | Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5... |
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2012-02-10 |
Christoph Junghans | Merge "Fixed bug with COM motion removal on part of... |
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2012-02-08 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-08 |
Christoph Junghans | Merge "fixed confusing nonbonded kernel pointer initial... |
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2012-02-06 |
Berk Hess | Fixed bug with COM motion removal on part of the system |
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2012-02-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-03 |
David van der Spoel | Merge "Improved the accuracy of the sd1 integrator... |
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2012-02-02 |
Szilárd Páll | Merge "Append all ICC Performance flags only to Release... |
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2012-02-02 |
Teemu Murtola | Merge "Revert "Fix ICC on Windows Build"" into release... |
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2012-02-02 |
Berk Hess | Improved the accuracy of the sd1 integrator |
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2012-02-01 |
Christoph Junghans | Merge "Fix signed/unsigned warnings" into release-4... |
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2012-01-31 |
David van der Spoel | Merge "Fix ICC on Windows Build" into release-4-5-patches |
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2012-01-31 |
Mark Abraham | Merge "Corrected use of ?: in conditional" into release... |
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2012-01-31 |
Mark Abraham | Made error message even more explicit |
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