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SYCL: Avoid using no_init read accessor in rocFFT
2019-09-15
Peter Kasson
Patch gmxapi for Python 3.7
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2017-07-20
Peter Kasson
Rework and rename gmx_select_gpu_ids
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2015-06-28
Peter Kasson
Append _pullx_ and _pullf to pull files when -deffnm...
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2014-01-08
Peter Kasson
Checkpointing fix for Native Client
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2013-12-29
Peter Kasson
Patch for Native Client builds.
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2013-06-07
Peter Kasson
Fixes syntax for FAHCORE in CMakeLists.txt.
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2013-02-28
Peter Kasson
Declaration-definition consistency nbxn_cuda_wait_gpu.
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2013-02-15
Peter Kasson
Unwinds flag dependencies in g_order.
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2012-11-09
Kasson
Merge "only use CPU_COUNT if it's available" into release-4-6
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2012-10-19
Kasson
Merge "renamed constraint variables rmdr to vir_r_m_dr...
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2012-10-17
Kasson
Merge "Make Gromacs compile without C++ compiler" into...
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2012-10-04
Kasson
Merge "Update valgrind suppressions after mem leak...
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2012-10-04
Kasson
Merge "Support C++11 <regex> as alternative to POSIX...
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2012-10-04
Kasson
Merge "Encapsulate regexp use in selections."
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2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
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2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
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2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
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2012-09-03
Kasson
Merge "Improved pdb2gmx output" into release-4-5-patches
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2012-04-18
Kasson
Merge "Merge fatalerror into utility."
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2011-11-10
Kasson
Merge "Misc. exception safety fixes."
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2011-11-08
Kasson
Merge "Fix for GB, double, SSE2 and optimized kernels...
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2011-10-26
Kasson
Merge "Remove explicit paths from cmake add_test()...
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2011-10-26
Kasson
Merge "Removed unnecessary information from user API...
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2010-08-10
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-29
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-29
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-13
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-07
Peter Kasson
Changed #ifdef option to allow forced trr write on...
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2010-06-30
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-29
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-29
Peter Kasson
Added a few comments to gmx_membed
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2010-06-25
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-23
Peter Kasson
make CMake with GCC default to C99 off (gcc 4.3 and...
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2010-06-20
Peter Kasson
fixed typo in previous commit
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2010-06-20
Peter Kasson
Modified stat.c trr file check for FAHCORE.
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2010-06-17
kasson
Changed HAVE_COPYFILE check to HAVE_COPYFILE_H in futil.c
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2010-06-17
kasson
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-06-16
kasson
Fixing #if statement.
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2010-06-16
kasson
Added defined() to #if macros
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-16
Peter Kasson
Changed some SSE typecasts to macros; fixing ICC/Windows...
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2010-06-11
Peter Kasson
Modifications in fsync routines for checkpoints.
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2010-05-13
Peter Kasson
made #defines consistent: FAHCORE -> GMX_FAHCORE
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2010-05-11
Peter Kasson
Added #ifdef HAVE_SIGUSR1 around SIGUSR1 refs in sighandler.c
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2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-17
Peter Kasson
Fixes for Windows/ICC--typecasting
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2010-04-12
kasson
Fixed dumb typos with last commit; 2 error messages...
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2010-04-12
kasson
Fixed typecasts that broke under intel compiler + double...
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2010-04-09
kasson
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-04-09
kasson
Added line for Dart
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2010-04-04
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-04
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-04
kasson
Added utility routine.
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2010-03-25
Peter Kasson
Changed divide-by-zero #define from divide() to divide_err...
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2010-03-15
kasson
One more typo.
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2010-03-15
kasson
Fixed typos in GB inner dielectric commit for some...
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2010-03-15
kasson
Changed Generalized Born scaling to use epsilon_r for...
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2010-03-12
Peter Kasson
Fixed C99 -> C syntax for md_openmm.c
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2010-03-12
Peter Kasson
Reverted duplicate fix from ff53e7244c832155f47269f459ec0ebe...
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2010-03-12
Peter Kasson
Minor CMake tweaks and Windows modifications.
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2010-03-09
kasson
Pulled CMake option out of if statement to fix infinite...
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2010-01-27
kasson
Added fflibutil to CMakeLists.txt
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2010-01-26
kasson
Check for infinite values in LINCS warnings.
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2010-01-21
kasson
Suppress warning message in FAHCORE.
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2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Peter Kasson
Minor fix for checkpointing.
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2009-12-14
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-14
Peter Kasson
Changed SSE typecasts back to #defines for portability...
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2009-12-14
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-10
kasson
Added CMake code to enable option of building "old...
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2009-12-10
kasson
Workarounds for md5.
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2009-12-10
kasson
Added CMake code to enable option of building "old...
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2009-12-10
kasson
Fixes for MKL. Someone should probably check compatibility...
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2009-12-09
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
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2009-12-07
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
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2009-12-07
kasson
Workarounds for md5.
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2009-11-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-11
Peter Kasson
PK bugfix for editconf
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2009-11-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-11
Peter Kasson
Added -align and -aligncenter options for editconf.
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2009-11-09
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-09
Peter Kasson
Fix to change sequential numbering in genconf and residue...
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2009-11-09
Peter Kasson
Residue numbering functionality has changed. Added...
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2009-11-08
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-08
Peter Kasson
Added code to restore old behavior of genconf -renumber...
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2009-11-05
Peter Kasson
Modified genrestr to allow restraining only pairs within...
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2009-11-04
kasson
PK fixed buffer overruns in get_libdir(); some untested...
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2009-10-12
kasson
Patch to ensure nonzero XTC in FAHCORE.
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2009-08-31
kasson
PK continuing merge of tools.
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2009-08-30
kasson
Tool merge
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2009-08-30
kasson
options for g_mindist and g_order
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2009-08-19
kasson
PK added -permolecule, -radial, and -ob features to...
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2009-08-11
kasson
PK inserted check in md.c to catch NaN values in the...
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2009-07-28
Peter Kasson
PK -sums option for g_densmap to print 1D sums.
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2009-07-28
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-28
Peter Kasson
PK modification to allow text output of density map...
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2009-07-27
Peter Kasson
PK added extern C for rmpbc and atomprop
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2009-07-27
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-16
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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