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House-keeping for MTTK
[alexxy/gromacs.git]
/
src
/
kernel
/
readir.c
2014-03-17
Mark Abraham
House-keeping for MTTK
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2014-02-24
Mark Abraham
Permit warning-free use of Andersen thermostat
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2013-10-17
Michael Shirts
Restarting from checkpoint no longer reinitializes...
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2013-10-16
Michael Shirts
turning off expanded ensemble for all integrators but...
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2013-05-21
Mark Abraham
Updated grompp cut-off and PME-Switch checks
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2013-04-26
Mark Abraham
Merge "CUDA PME kernels with analytical Ewald correctio...
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2013-04-26
Mark Abraham
Merge "improved load balancing with Verlet cut-off...
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-04-16
David van der Spoel
Merge "corrected grompp rvdw charge-group radii check...
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-03-14
Berk Hess
corrected grompp rvdw charge-group radii check
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2013-02-20
Berk Hess
fixed issues with FEP soft-core and cut-off's
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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2013-02-12
Mark Abraham
Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
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2013-02-09
Roland Schulz
Merge "Typo fix" into release-4-6
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2013-02-09
Mark Abraham
Typo fix
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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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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