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Merge branch release-5-1
2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-04-14
Carsten Kutzner
Corrected value of electric conversion factor f in...
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2016-04-06
Roland Schulz
AVX512 transposeScatterIncr/DecrU with load/store
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2016-04-04
Erik Lindahl
Fix compile error for IBM VMX on ppc64
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2016-04-04
Erik Lindahl
Fix SIMD detection on new AMD AVX CPUs w/o fma
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2016-04-03
Erik Lindahl
Fix unit test segfaults with gcc-6.0
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2016-04-03
Erik Lindahl
Fix incorrect return type for scalar version of simd...
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2016-04-03
Semen Yesylevskyy
Added references to ProtSqueeze and g_membed to the...
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2016-04-02
Roland Schulz
Fix coolquotes
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2016-04-01
Mark Abraham
Revert to treating -1 as "generate a seed" in .mdp
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2016-03-31
Berk Hess
Add option for external pull potential
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2016-03-31
James W. Barnett
Revert behavior for handling SETTLE errors
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2016-03-31
Szilárd Páll
refactor CUDA texture-based table initialization
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2016-03-31
Szilard Pall
avoid CPU oversubscription with GPUs
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2016-03-30
Szilárd Páll
LJ combination rule kernels for OpenCL
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2016-03-30
Szilárd Páll
Re-enable i-atom type local mem prefetch in OpenCL
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2016-03-30
Berk Hess
Correct mdrun tMPI (non-)parallel error message
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2016-03-30
Teemu Murtola
Make includesorter.py work with Doxygen 1.8.10+
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2016-03-30
Szilárd Páll
Describe AMD APPSDK 3.0 issues in the guide
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2016-03-30
Teemu Murtola
Fix error reporting for documentation build
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2016-03-30
Mark Abraham
Clean up vsite code
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2016-03-22
Carsten Kutzner
Clean-up code for swapcoords.
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2016-03-22
Berk Hess
LJ combination rule kernels for CUDA
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2016-03-19
Mark Abraham
Add more const correctness
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2016-03-19
Mark Abraham
Improved some mdrun integration tests
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2016-03-18
Mark Abraham
Warn about OpenMPI 1.8.6
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2016-03-18
Berk Hess
Fix non-normalization of FFT autocorr
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2016-03-18
Mark Abraham
Fix typo in Fourier dihedral equation
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2016-03-18
Viveca Lindahl
Added pull coordinate geometry angle.
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2016-03-18
David van der Spoel
Fixed division by zero in polarize.
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2016-03-18
Nicholas Breen
Various minor spelling fixes - messages and code comments...
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2016-03-17
Carsten Kutzner
Fix membed initialization
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2016-03-15
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-03-11
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-03-10
Mark Abraham
Require 2015 version for MSVC
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2016-02-27
Berk Hess
Remove epsfac from GPU kernel inner-loops
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2016-02-23
Mark Abraham
Replace cppcheck suppression in checkpoint code
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2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-14
Mark Abraham
Re-generated eps for figure 4.8
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2016-02-10
Mark Abraham
Re-remove *_stochd_state function declarations
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2016-02-10
Erik Lindahl
Scalar functions mimicking the SIMD interface
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2016-02-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-06
Mark Abraham
Merge branch release-5-1
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2016-02-03
Mark Abraham
Bumped patch number to prepare for future 5.1.3 release
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2016-02-03
Mark Abraham
Version 5.1.2
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2016-02-03
Mark Abraham
Merge release-5-0 into release-5-1
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2016-01-28
Mark Abraham
Merge branch release-5-1
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2016-01-28
Mark Abraham
Avoid FP exception
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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Remove bNotLastFrame
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2016-01-26
Mark Abraham
Fix default for GMX_USE_NVML
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-07
Mark Abraham
Fix some mdrun header dependencies
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2016-01-07
Mark Abraham
Avoid more C++ bindings for MPI
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2016-01-07
Mark Abraham
Stop using UNDEFINED as name of a symbol
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2016-01-07
Mark Abraham
Remove fields used only for SD2
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2016-01-07
Mark Abraham
Backport md-vv fixes
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2016-01-06
Mark Abraham
Fix spurious gcc warning
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2015-12-29
Berk Hess
Correct vector check of gmx check
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2015-12-29
Teemu Murtola
Packaging build script for web site
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-27
Mark Abraham
Fix some OpenCL issues
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2015-12-27
Berk Hess
Reorganized domdec initialization
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2015-12-24
Mark Abraham
Shell code cleanup
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2015-12-24
Erik Lindahl
IBM Power6 VMX extended SIMD
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2015-12-17
Mark Abraham
Simplified energy-summation code
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2015-12-16
Berk Hess
Add one element to state rvec arrays
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2015-12-15
Erik Lindahl
C++ math function cleanup
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2015-12-15
Teemu Murtola
Move main.*, splitter.*, gmx_omp_nthreads.* to mdlib
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2015-12-15
Teemu Murtola
Move readinp.* and warninp.* to fileio/
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2015-12-15
Teemu Murtola
Move hardware detection to hardware/
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2015-12-15
Teemu Murtola
Move some mdrun code out of gmxlib/
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2015-12-12
Teemu Murtola
Move disre.* and orires.* to listed-forces/
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2015-12-12
Teemu Murtola
Move put_atoms_in_box_omp() to sim_util.*
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2015-12-12
Teemu Murtola
Remove topology -> fileio dependency
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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-08
Mark Abraham
Fix Trotter integration
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2015-12-03
Mark Abraham
Remove mdrun -compact
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2015-12-03
Teemu Murtola
Move strdb.* to utility/
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2015-12-02
Berk Hess
Made t_inputrec const in PME load balancing
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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-30
Mark Abraham
Refactor hardware information management
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2015-11-25
Elton Carvalho
Rotate Figure 8.2 in manual.
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2015-11-24
Mark Abraham
Fix error in multi-sim communication
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2015-11-23
Mark Abraham
Update and expand pre-submit commit matrix
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2015-11-16
Mark Abraham
Remove t_adress
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2015-11-16
Mark Abraham
Removed state_global from mdrun energy-summation
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
Mark Abraham
Remove AdResS
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2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
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2015-11-10
Mark Abraham
Bump patch version to prepare for 5.1.2
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2015-11-04
Mark Abraham
Merge branch release-5-1
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2015-11-04
Mark Abraham
Even less moving from unique_ptr
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2015-11-04
Mark Abraham
Version 5.1.1
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2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
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2015-10-15
Szilárd Páll
Add CUDA nvcc >=7.0 support
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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