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Merge "Autogenerate gromacs.7 from programs.txt" into release-4-6
2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
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2012-07-15
Roland Schulz
Adding missing entries in programs.txt
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2012-07-09
Christoph Junghans
Merge "Fixed bug in sfactor.c that makes g_rdf -sq...
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2012-07-06
Roland Schulz
Don't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS
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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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2012-07-03
Szilárd Páll
Merge "Minor formatting and consistency changes to...
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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
Merge "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
Merge "Fix gmx_fatal for serial compilation" into release-4-6
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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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2012-06-23
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 release-4-6
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2012-06-20
Roland Schulz
Fix gmx_fatal for serial compilation
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2012-06-19
Mark Abraham
Merge "Fixes #882 - looping bug in trxio.c" into release...
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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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2012-06-18
Martin Hoefling
gmx_dyecoupl: check selected groups from user
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2012-06-16
David van der Spoel
Fixes #882 - looping bug in trxio.c
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2012-06-15
Erik Marklund
Makes g_hbond -contact work
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2012-06-15
Christoph Junghans
Merge "Work around failure of endianness testing on...
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2012-06-14
Roland Schulz
Merge "Made mdrun more verbose about PME split" into...
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2012-06-11
Carsten Kutzner
Small fix for g_tune_pme
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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
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
David van der Spoel
Merge "added explicit sqrtf to the float version of...
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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 Spoel
Merge "grompp now retains the order of bonds converted...
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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
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
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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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2012-04-29
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
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2012-04-29
David van der Spoel
Merge "added support for graphs not starting at 0"...
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2012-04-28
Teemu Murtola
Merge "Fix for sigaction" into release-4-6
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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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2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
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2012-04-26
David van der Spoel
Merge "[tools] g_sans - splited out fixes and added...
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2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
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2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
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2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locking...
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2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
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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
Roland Schulz
Merge "checkpoint files now contain a double precision...
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2012-04-16
David van der Spoel
Merge "Added support for dssp2.X with the -ver option...
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2012-04-16
David van der Spoel
Merge "Expanded the help text regarding the -r2 and...
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2012-04-16
Sander Pronk
Merge "Permit threads build on Cygwin" into release...
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2012-04-14
Teemu Murtola
Merge "Clarified warning message" into release-4-5...
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2012-04-14
Teemu Murtola
Merge "Clarified warning string" into release-4-5-patches
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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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2012-04-03
Roland Schulz
Merge "Fixes problems with g_msd and g_energy" into...
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2012-04-02
David van der Spoel
Merge "Improved pdb2gmx error message" into release...
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2012-03-28
Christoph Junghans
Merge "Resolving clang analyzer warnings in analysis...
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2012-03-18
Christoph Junghans
Merge "Warnings against equilibrating with P-R P-coupling...
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2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
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2012-03-18
David van der Spoel
Merge "Merge release-4-5-patches into release-4-6"...
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2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
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2012-03-13
Roland Schulz
Merge "mdrun -npme without PME or with PD now generates...
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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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2012-03-12
Teemu Murtola
Merge "Made description string for g_select -select...
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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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2012-03-09
David van der Spoel
Merge "Improved cryptic error message" into release...
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2012-03-09
Carsten Kutzner
Merge "Improved warning note with DD and periodic molecules...
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2012-03-08
David van der Spoel
Merge "Minimal support for Clang" into release-4-5...
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2012-02-25
David van der Spoel
Merge "Minor formatting fixes to .mdp option documentation...
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2012-02-21
Teemu Murtola
Merge "Use Git server (mirror) to avoid fetching problems...
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2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
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2012-02-19
Berk Hess
Merge "Generate warnings for QMMM usage" into release-4-6
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2012-02-15
Roland Schulz
Merge "Cmake: unite FindFFTW3* into one file" into...
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2012-02-11
Szilárd Páll
Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
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2012-02-10
Christoph Junghans
Merge "Fixed bug with COM motion removal on part of...
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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initializati...
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2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
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2012-02-02
Szilárd Páll
Merge "Append all ICC Performance flags only to Release...
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2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commit...
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2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
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2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
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2012-02-01
David van der Spoel
Merge "Fixed error message to identify the correct...
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2012-02-01
David van der Spoel
Merge "Fixed trjconv -sub" into release-4-5-patches
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2012-02-01
David van der Spoel
Merge "Improved error message" into release-4-5-patches
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2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
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2012-01-31
Roland Schulz
Revert "Fix ICC on Windows Build"
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2012-01-31
David van der Spoel
Merge "Fix ICC on Windows Build" into release-4-5-patches
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