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Add initial support for python bindings
2012-08-13
Christoph Junghans
fix AdResS and long-range electrostatics warning
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2012-08-07
Christoph Junghans
Merge "fixed incorrect TPI results with dynamic box...
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2012-08-06
Christoph Junghans
Merge "Clarify TestFileManager naming and comments."
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2012-08-06
Christoph Junghans
Merge "Added comment in get_structure about which structures...
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2012-08-02
Christoph Junghans
Add note about SD integrator and t-coupling
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2012-07-31
Christoph Junghans
Merge "Clarified reasons for termination of EM" into...
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2012-07-28
Christoph Junghans
Merge "Increase miminum boost version to 1.44"
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2012-07-28
Christoph Junghans
Merge "Fix a few doxygen warnings."
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2012-07-26
Christoph Junghans
Merge changes I33cd59e6,I8a2e539f
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2012-07-19
Christoph Junghans
cmake: allow switch between single and double
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2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
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2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
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2012-07-09
Christoph Junghans
Merge "Fixed bug in sfactor.c that makes g_rdf -sq...
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2012-07-05
Christoph Junghans
Merge "Extract doxygen documentation for static symbols."
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2012-07-05
Christoph Junghans
Merge "Fix most doxygen warnings."
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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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2012-07-02
Christoph Junghans
Do not print disabled pressures and virials
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2012-06-29
Christoph Junghans
Add FindGROMACS.cmake to template's CMakeLists.txt
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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 wrapper...
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2012-06-27
Christoph Junghans
Merge "Make C++11 test quiet after the first cmake...
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2012-06-27
Christoph Junghans
Merge "Use VERSION_LESS in the version detection code."
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2012-06-26
Christoph Junghans
Merge "Merge remote-tracking branch 'gerrit/release...
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2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
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2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into release-4-6
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2012-06-19
Christoph Junghans
Merge "Quiet linker on BlueGene" into release-4-5-patches
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2012-06-18
Christoph Junghans
Merge "Fix g_lie counting last frame twice" into release...
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2012-06-15
Christoph Junghans
Merge "Remove unnecessary *-impl.h files."
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2012-06-15
Christoph Junghans
Merge "Work around failure of endianness testing on...
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2012-06-13
Christoph Junghans
Merge "Merge branch 'release-4-6'"
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2012-06-08
Christoph Junghans
Merge "Added more suggested strategies to error message...
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into release-4-6
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2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
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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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2012-05-28
Christoph Junghans
Merge "Improve gmx::test::CommandLine."
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2012-05-28
Christoph Junghans
Merge "Improve analysisdata reference checks."
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2012-05-28
Christoph Junghans
Merge "Move common test code to testutils."
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2012-05-28
Christoph Junghans
Merge "Simplify selection parsing methods signature."
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2012-05-28
Christoph Junghans
Merge "Option parsing through SelectionOptionManager."
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2012-05-28
Christoph Junghans
Merge "Simpler required selection input from a file."
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2012-05-28
Christoph Junghans
Merge "Split option code away from SelectionCollection."
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2012-05-28
Christoph Junghans
Merge "Merge release-4-6 (commit 'Ic142a690')"
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2012-05-28
Christoph Junghans
Merge "Fixed 'g_ana select' broken by I8806b3e0."
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2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
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2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
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2012-05-09
Christoph Junghans
Merge "Detect module name from symlinks."
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2012-05-08
Christoph Junghans
Merge "Print list of modules with 'g_ana help'."
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2012-05-03
Christoph Junghans
Merge "Add shared test fixture for string tests."
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2012-05-03
Christoph Junghans
Merge "Initial implementation of selection file input."
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2012-05-03
Christoph Junghans
Merge "Move OptionInfo to abstractoption.cpp."
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2012-05-03
Christoph Junghans
Merge "Implement markup substitution in command-line...
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2012-05-03
Christoph Junghans
Merge "Rewrote command line help writer."
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2012-05-02
Christoph Junghans
Merge "Remove unnecessary uses of gmx_header_config.h."
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2012-05-02
Christoph Junghans
Merge "Add tests for PDB-specific selection methods."
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2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
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2012-04-12
Christoph Junghans
Reworked FindFFTW.cmake
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2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
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2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
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2012-04-06
Christoph Junghans
Merge "Replaced a default parameter with separate method."
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2012-04-06
Christoph Junghans
Merge "Improve selection interface (remove some pointers)."
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2012-03-28
Christoph Junghans
Merge "Resolving clang analyzer warnings in analysis...
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2012-03-27
Christoph Junghans
Fixed rest of doxygen warnings
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2012-03-26
Christoph Junghans
Fixed more doxygen warnings in gmxlib
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2012-03-26
Christoph Junghans
Fixed doxygen warning in mdlib/adress.h
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2012-03-20
Christoph Junghans
Merge "Remove obsolete pointers in options handling."
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2012-03-18
Christoph Junghans
Merge "Removed assert.h."
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2012-03-18
Christoph Junghans
Merge "Fixing some Doxygen warnings"
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2012-03-18
Christoph Junghans
Merge "Warnings against equilibrating with P-R P-coupling...
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2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
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2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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2012-03-12
Christoph Junghans
Merge "More editorial fixes to tool documentation"...
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2012-03-08
Christoph Junghans
Make finite checks remember theirs results
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2012-03-08
Christoph Junghans
Improve FindFFTW
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2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
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2012-02-15
Christoph Junghans
Removed FFTw2 support
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2012-02-15
Christoph Junghans
Merge "Valgrind suppression rules for MacOS"
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2012-02-10
Christoph Junghans
Merge "Fixed bug with COM motion removal on part of...
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2012-02-10
Christoph Junghans
Cmake: unite FindFFTW3* into one file
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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initializati...
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2012-02-01
Christoph Junghans
initialize adress_do_hybridpairs=FALSE by default
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2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
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2012-01-25
Christoph Junghans
make gromacs manual build again
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2012-01-23
Christoph Junghans
document AdResS mdp options
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2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
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2012-01-14
Christoph Junghans
CMake improvements
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2012-01-13
Christoph Junghans
Merge branch 'release-4-6' (incl. AdResS Patch)
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2012-01-04
Christoph Junghans
Merge "Documented the function of g_cluster -cl -noav...
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2011-12-19
Christoph Junghans
Set GMX_*_ASM true if GMX_ACCELERATION != auto
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2011-11-08
Christoph Junghans
Merge "Fixed bug #830 (segv in do_dssp)" into release...
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2011-10-20
Christoph Junghans
Merge "Changed default value for g_anaeig -last to...
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2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
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2011-10-20
Christoph Junghans
Merge "Add CMakeLists.txt.user to gitignore" into release-4-6
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2011-10-20
Christoph Junghans
Merge "Fix compiler warning in thread_mpi."
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2011-10-15
Christoph Junghans
Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6
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2011-08-03
Christoph Junghans
build fix for gcc 4.4
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2011-08-03
Christoph Junghans
cmake: added option GMX_INTERNAL_BOOST to allow built...
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