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Merge branch release-2016
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
minimize.cpp
2016-09-16
Berk Hess
Merge branch release-2016
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-06
Berk Hess
Fix bug with conjugate-gradient and OpenMP
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2016-09-06
Berk Hess
Consolidate MD algorithm atom setup
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2016-09-05
David van der Spoel
Merge "Merge branch release-2016"
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2016-09-04
Berk Hess
Merge branch release-2016
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2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-24
Berk Hess
Fix Ewald surface+3DC corrections
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2016-08-24
Berk Hess
Merge branch release-5-1 into release-2016
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2016-08-15
Mark Abraham
Merge branch release-2016
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2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-23
Roland Schulz
Merge release-2016 into master
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2016-07-12
Mark Abraham
Merge branch release-2016
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2016-07-11
Erik Lindahl
Fix membed with partial revert of 29943f
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2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-23
Mark Abraham
Merge branch release-2016
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2016-06-22
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-13
Berk Hess
Handle constraint errors with EM
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2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-01
Teemu Murtola
Use C++ replacement for md_logging.*
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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-10
Erik Lindahl
Flush streams when not writing newline character
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2016-05-05
Teemu Murtola
Merge branch release-5-1
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2016-04-27
Mark Abraham
Merge branch release-5-1
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2016-04-14
Mark Abraham
Merge branch release-5-1
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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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2016-02-22
Mark Abraham
Move init of specialized dynamical algorithms to do_md
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-10
Mark Abraham
Fix issues to update cppcheck support to 1.72
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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
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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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-20
Szilárd Páll
Merge remote-tracking branch 'origin/release-5-1' into...
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2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-12
Teemu Murtola
Make GMX_MPI always defined to 0/1
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-07
David van der Spoel
Made normal modes work with shells and vsites
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2016-01-04
Mark Abraham
Change GMX_DOUBLE to be always defined
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-24
Mark Abraham
Moved responsibility for f_global
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2015-12-24
Mark Abraham
Shell code cleanup
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2015-12-20
Teemu Murtola
Fix most warnings with Doxygen 1.8.10
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2015-12-20
Berk Hess
Merge release-5-1 into master
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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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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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2015-12-09
Teemu Murtola
Split txtdump.*, part 1
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-03
Mark Abraham
Remove mdrun -compact
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2015-12-03
Teemu Murtola
Move filenm.* to commandline
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2015-12-02
Teemu Murtola
Split filenm.*
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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-30
Teemu Murtola
Remove topology -> mdtypes dependency
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2015-11-30
Teemu Murtola
Merge remaining legacyheaders/types/ to mdtypes/
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2015-11-23
David van der Spoel
Moved domdec structures out of commrec.h.
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2015-11-20
David van der Spoel
Combine enums.h and names*.
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2015-11-20
David van der Spoel
Merged legacyheaders/nrnb.h and types/nrnb.h to gmxlib.
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
David van der Spoel
Merged legacyheaders/types/inputrec.h into mdtypes...
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2015-11-14
Teemu Murtola
Move network.h to gmxlib/
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2015-11-12
David van der Spoel
Moved txtdump.* to fileio.
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2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
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2015-11-10
David van der Spoel
Removed legacyheaders/typedefs.h
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2015-11-07
Teemu Murtola
Move gmx_omp_nthreads.h and gmx_thread_affinity.h to...
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2015-11-06
Teemu Murtola
Move ns.h and nsgrid.h to mdlib/
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2015-11-06
Teemu Murtola
Move force.h and vsite.h into mdlib/
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2015-11-04
Mark Abraham
Merge branch release-5-1
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2015-11-03
Mark Abraham
Merge branch release-5-1
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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2015-10-05
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-05
James W. Barnett
Remove lambda from print_ebin_header.
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2015-10-05
Erik Lindahl
Added try/catch statements in OpenMP regions and tMPI...
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2015-10-03
Teemu Murtola
Merge branch release-5-1 into master
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2015-10-02
Teemu Murtola
More headers out of legacyheaders
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2015-10-02
David van der Spoel
Removed output_env_t, now using gmx_output_env_t *...
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2015-10-01
Teemu Murtola
Move mdoutf and trajectory_writing to mdlib
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2015-09-29
David van der Spoel
Removed types/inputrec.h from typedefs.h and releted...
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2015-09-27
Teemu Murtola
More headers out of legacyheaders
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2015-09-26
Teemu Murtola
Remove types/membedt.h
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2015-09-25
Teemu Murtola
More legacyheaders to gmxlib/mdlib
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2015-09-18
Teemu Murtola
Move asize() from macros.h and reduce use of macros.h
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2015-09-15
Mark Abraham
Merge branch release-5-1
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2015-09-10
David van der Spoel
Moved content from mdrun.h to separate headers.
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2015-09-10
David van der Spoel
Removed <sys/types.h> and "types/constr.h" from typedefs
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2015-09-08
David van der Spoel
Moved functions operating on forcerec to separate header.
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2015-08-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-08-04
Mark Abraham
Merge release-5-0 into 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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2015-07-20
Teemu Murtola
Merge release-5-0 into release-5-1
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biod.pnpi.spb.ru / alexxy / gromacs.git / history