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alexxy/gromacs.git
2012-07-03
Szilárd Páll
Merge "Minor formatting and consistency changes to...
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2012-07-02
Christoph Junghans
Do not print disabled pressures and virials
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2012-06-29
Michael Shirts
Minor formatting and consistency changes to txtdump.c
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2012-06-29
Michael Shirts
Corrected checkpoint version issues with free energy...
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2012-06-29
Sebastian Fritsch
Merge "Fixed adress kernel for double precision" into...
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2012-06-28
Christoph Junghans
Fixed adress kernel for double precision
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2012-06-28
Christoph Junghans
Merge "Fix MPI build for MPI library without mpi wrappe...
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2012-06-28
Roland Schulz
Fix MPI build for MPI library without mpi wrapper
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2012-06-27
Szilard Pall
fixes typo gmx_omp introduced by 697bcdc
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2012-06-26
Roland Schulz
Fix that rerunning cmake gives the same result as 1st run
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2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
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2012-06-25
Berk Hess
added check for log fp!=NULL when disabling acceleration
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2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
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2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
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2012-06-24
Roland Schulz
Remove MPI define for FAH
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2012-06-23
Roland Schulz
Fix illegal usage of MPI_Comm_create
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2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
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2012-06-21
Erik Lindahl
Fixed gcc inline assembly issue with PIC and older...
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2012-06-20
Roland Schulz
Fix gmx_fatal for serial compilation
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2012-06-18
Martin Hoefling
gmx_dyecoupl: check selected groups from user
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2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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2012-06-15
Justin Lemkul
Simple patch for openmm_wrapper.cpp
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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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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
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2012-06-01
Roland Schulz
Replace our fftpack version with Numpy's version
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2012-05-30
Teemu Murtola
Fix use after free in g_anaeig projection code.
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2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
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2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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2012-05-28
Christoph Junghans
Merge "Continuing to fix threading on Cygwin" into...
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2012-05-27
Roland Schulz
Fix editconf real-bool misusage
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2012-05-27
David van der...
Merge "added explicit sqrtf to the float version of...
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2012-05-27
Roland Schulz
Fix Clang 3.1 warning
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2012-05-26
Mark Abraham
Continuing to fix threading on Cygwin
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2012-05-25
Roland Schulz
Make load_vmd_library static
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2012-05-25
Roland Schulz
Made all vmdio headers private
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2012-05-25
Roland Schulz
Merge "fixed [dd] and [TT] typos in documentation of...
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2012-05-25
David van der...
Merge "grompp now retains the order of bonds converted...
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2012-05-25
Martin Hoefling
fixed [dd] and [TT] typos in documentation of mdrun...
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2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
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2012-05-24
Berk Hess
now mdrun always initializes MPI
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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-23
Carsten Kutzner
Revised g_tune_pme
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2012-05-23
Roland Schulz
Fix that sigaction mask wasn't zeroed
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2012-05-23
Roland Schulz
Code cleanup to avoid name collisions
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2012-05-22
Roland Schulz
Use External BLAS/LAPACK by default
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2012-05-22
Szilard Pall
added explicit sqrtf to the float version of norm
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2012-05-21
Berk Hess
grompp now retains the order of bonds converted to...
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2012-05-21
Berk Hess
re-introduced fix for real/double issue in gmx_density
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2012-05-18
Roland Schulz
Rename BOOL to EBOOL
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2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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2012-05-17
Maarten Wolf
mv membed.h from include to src/kernel
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2012-05-16
Roland Schulz
Fixing more clang warnings
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2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
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2012-05-09
Alexey Shvetsov
[tools] g_sans - add OpenMP based parallelism
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2012-05-08
Maarten Wolf
Backporting "moving membed to mdrun" from master
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2012-05-08
Berk Hess
fixed mdrun -cpi SD and pcoupl initialization
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2012-05-08
Roland Schulz
Fixing more Clang warnings
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-05-05
Teemu Murtola
Clean up cmake version generation.
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2012-05-05
Teemu Murtola
Drop support for pre-1.5.3 git for version info.
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2012-05-05
Teemu Murtola
Fix cmake version info generation.
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2012-05-05
Teemu Murtola
Removed autoconf version info generation.
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2012-05-02
Szilard Pall
removed -finline-functions from the release gcc flags
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2012-05-02
Teemu Murtola
Remove #include <config.h> from pull_rotation.h.
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2012-05-01
Roland Schulz
Fix Windows specific cmake hacks
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2012-05-01
Roland Schulz
Merge "Disable OpenMP for llvm-gcc 4.2.x" into release-4-6
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2012-04-30
Roland Schulz
Fix gmxdump error introduced by 553d4b1369
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2012-04-29
Roland Schulz
Disable OpenMP for llvm-gcc 4.2.x
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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...
Merge "changed number of iatoms for F_SETTLE from 1...
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2012-04-29
David van der...
Merge "added support for graphs not starting at 0"...
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2012-04-29
Roland Schulz
Don't enable ASM if no asm kernel is selected
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-28
Berk Hess
fixed PME forces with FE, fixes #929 introduced in...
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2012-04-28
Teemu Murtola
Merge "Fix for sigaction" into release-4-6
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2012-04-28
Roland Schulz
Fix srenew/sfree_aligned misuse in PME
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2012-04-28
Mark Abraham
Merge "Remove checks based on Generator" into release...
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2012-04-28
Mark Abraham
Merge "Fix version info generation for autoconf." into...
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2012-04-27
Berk Hess
fixed segv in TPI with PME, fixes #927
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2012-04-27
Berk Hess
changed PME MPI_Comm comparisions to MPI_COMM_NULL...
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2012-04-27
Berk Hess
changed number of iatoms for F_SETTLE from 1 to 3
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2012-04-27
Teemu Murtola
Fix version info generation for autoconf.
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2012-04-27
Roland Schulz
Remove checks based on Generator
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2012-04-27
Roland Schulz
Fix for sigaction
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2012-04-26
Berk Hess
added support for graphs not starting at 0
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2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-26
David van der...
Merge "[tools] g_sans - splited out fixes and added...
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2012-04-26
Berk Hess
fixed the reported temperature with Brownian dynamics
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2012-04-26
Berk Hess
fixed dispersion correction with parallel EM
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2012-04-26
Szilard Pall
Corrected fourierspacing description
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2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
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2012-04-26
Alexey Shvetsov
[tools] g_sans - splited out fixes and added citation
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2012-04-26
David van der...
Merge "Various improvements to shell code" into release...
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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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2012-04-25
Berk Hess
fixed initial COM motion removal with multiple groups
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