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alexxy/gromacs.git
2015-07-29
Erik Lindahl
Update naming standards to avoid hungarian notation...
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2015-07-28
Erik Lindahl
Moved second half of gmxana tools to C++
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2015-07-28
Erik Lindahl
Moved first batch of analysis tool source to C++
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2015-07-28
Roland Schulz
Converted 2xnn kernel to C++
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2015-07-28
Erik Lindahl
Convert support files in gmxana to C++
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2015-07-28
Erik Lindahl
Moved timing source to C++
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2015-07-27
Erik Lindahl
Moved additional gmxlib sources to C++
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2015-07-26
Mark Abraham
Convert some mdrun utility code to C++
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2015-07-26
Erik Lindahl
Merge branch release-5-1
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2015-07-26
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-07-26
Mark Abraham
Stop mdrun printing potentially undefined value
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2015-07-26
Mark Abraham
Version bumps after new release
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2015-07-25
Teemu Murtola
Remove Options::isSet()
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2015-07-25
Teemu Murtola
Add basic grouping to Options
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2015-07-25
Teemu Murtola
Extract IOptionsContainer from Options
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2015-07-24
Mark Abraham
Merge branch release-5-1
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2015-07-24
Rossen Apostolov
Converted correlationfuntcions to C++.
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2015-07-24
Mark Abraham
Version 5.0.6
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2015-07-24
Teemu Murtola
Rename trnio routines
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2015-07-24
Teemu Murtola
Rename trnio.* to trrio.*
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2015-07-23
Teemu Murtola
Split espresso I/O routines from confio.cpp
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2015-07-22
Teemu Murtola
Split gro I/O routines from confio.cpp
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2015-07-22
Teemu Murtola
Split g96 I/O routines from confio.cpp
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2015-07-22
Teemu Murtola
Move read_tps_conf() to confio.h
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2015-07-22
Teemu Murtola
Add basic tests for reading/writing structure files
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2015-07-20
Teemu Murtola
Merge release-5-0 into release-5-1
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2015-07-19
Mark Abraham
Update advice about grompp -t
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2015-07-18
Teemu Murtola
Move Options::setDescription() elsewhere
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2015-07-18
Teemu Murtola
Change naming convention for C++ interfaces
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2015-07-17
Carlo Camilloni
Fixed gmx sasa output residue numbering
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2015-07-17
Erik Lindahl
Moved statistics source to C++
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2015-07-17
Erik Lindahl
Fixed static analyzer warnings
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2015-07-17
Erik Lindahl
Fix incorrect warning about only using single core
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2015-07-16
Alexey Shvetsov
Fix build failure in view/filter.cpp
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2015-07-15
Carsten Kutzner
Removed information about obsolete .edo file format
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2015-07-15
James W. Barnett
Implement zsh shell completions.
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2015-07-14
James W. Barnett
Update example old mdp file in user guide.
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2015-07-14
Erik Lindahl
Move fileio sources to C++
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2015-07-14
Mark Abraham
Converted gmxpreprocess to compile as C++
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2015-07-14
Erik Lindahl
Move remaining C files in utility to C++
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2015-07-13
James W. Barnett
Fix spelling errors in user guide.
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2015-07-11
Roland Schulz
Update kernel templates to match kernels
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2015-07-10
Erik Lindahl
Use cmakedefine01 for more trivial defines
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2015-07-10
Erik Lindahl
Moved tools files to C++
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2015-07-10
Teemu Murtola
More gmxfio simplification
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2015-07-09
Teemu Murtola
Fix -deffnm -multi[dir]
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2015-07-09
Erik Lindahl
Merge "Merge release-5-1 into master"
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2015-07-09
Roland Schulz
New quotes
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2015-07-08
Roland Schulz
Merge release-5-1 into master
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2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
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2015-07-08
Erik Lindahl
Move generalized born to C++
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2015-07-08
Erik Lindahl
Move FFT defines to use cmakedefine01
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2015-07-08
Mark Abraham
Give bTypePerturbed a valid initial value
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2015-07-08
Berk Hess
Separated bonded and Ewald correction threading
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2015-07-08
Erik Lindahl
Move endian, float format and XDR settings to cmakedefine01
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2015-07-08
Mark Abraham
Fix grompp .edr IO estimate for free-energy calcs
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2015-07-08
Erik Lindahl
Cleanup and remove unused SSE2 generalized born code
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2015-07-08
Roland Schulz
Merge release-4-6 into release-5-0
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2015-07-08
Erik Lindahl
Move old neighborsearch code to C++
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2015-07-07
Erik Lindahl
Move QMMM source to C++
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2015-07-07
Teemu Murtola
Wrap uses of thread_mpi/mutex.h
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2015-07-06
Mark Abraham
First 5.1 release candidate
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2015-07-06
Berk Hess
Fix too small GPU pair count estimates
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2015-07-06
Berk Hess
Fix bug in GPU list balancing
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2015-07-05
Teemu Murtola
Improve gmx help -export Sphinx rebuild behavior
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2015-07-05
Berk Hess
Fix DD DLB state issue
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2015-07-05
Berk Hess
Fix bug in GPU list balancing
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2015-07-04
Teemu Murtola
Fix error wrapping in interactive selection input
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2015-07-04
Teemu Murtola
Tests for interactive selection input
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2015-07-04
Teemu Murtola
Fix copy-paste bug in gmx distance
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2015-07-04
Teemu Murtola
Refactor for testing interactive selection input
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2015-07-04
Teemu Murtola
Remove gmx::File (except for File::exists())
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2015-07-04
Teemu Murtola
Replace direct uses of gmx::File with streams
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2015-07-04
Teemu Murtola
Bump various version numbers
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2015-07-04
Teemu Murtola
Make some unit tests use mock file output
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2015-07-04
Berk Hess
Obey OpenMP thread count limit with tMPI
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2015-07-04
Berk Hess
Fix two PME DLB trigger issues
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2015-07-03
Mark Abraham
Fix ThreadMPI GPU assumptions
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2015-07-03
Berk Hess
Correct grompp pull warning message
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2015-07-02
Teemu Murtola
Convert gmxfio to C++
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2015-07-02
Szilard Pall
Fix OpenCL compilation errors.
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2015-07-02
Teemu Murtola
Remove status messages about Sphinx detection
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2015-07-02
Teemu Murtola
Clean up gmxfio includes
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2015-07-02
Teemu Murtola
Reorder code within gmxfio
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2015-07-02
Teemu Murtola
Further gmxfio cleanup related to xdr handling
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2015-07-02
Teemu Murtola
Minor include sorting changes
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2015-07-01
Teemu Murtola
Clean up unused code from gmxfio
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2015-06-30
Berk Hess
Fix inconsistent OpenMP automation
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2015-06-30
Mark Abraham
Document how to add and use NVML support
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2015-06-30
Mark Abraham
Avoid GPU data race also with OpenCL
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2015-06-30
Berk Hess
enabled 1 PP + 1 PME node
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2015-06-30
Berk Hess
Add checks for inefficient resource usage
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2015-06-30
Mark Abraham
Add support for flushing WDDM queue
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2015-06-29
Mark Abraham
Merge "Merge branch release-5-0"
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2015-06-29
Erik Lindahl
Fix OS X openCL builds
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2015-06-29
Erik Lindahl
Fix bugs in gmx dos
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2015-06-29
Erik Lindahl
Replace functions deprecated in OpenCL 1.2
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2015-06-29
Teemu Murtola
Only accept exact matches for selection keywords
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2015-06-29
Mark Abraham
Merge branch release-5-0
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2015-06-29
Mark Abraham
Documented build types in developer guide
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