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Merge branch release-5-1 into release-2016
[alexxy/gromacs.git]
/
src
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programs
/
mdrun
/
md.cpp
2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-14
Mark Abraham
Fix handling of previous virials
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-30
Mark Abraham
Don't print invalid performance data
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-02
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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2016-07-29
Mark Abraham
Merge branch release-5-1 into 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
Removed unnecessary inter-simulation signalling
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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
Prevent use of mdrun -maxh -multi
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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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2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-08
Berk Hess
Update mdrun termination info
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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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2016-04-27
Teemu Murtola
Merge "Merge branch release-5-1"
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2016-04-19
Szilárd Páll
Move out CUDA profiler triggers from NBNXN
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2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-03-22
Carsten Kutzner
Clean-up code for swapcoords.
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2016-03-21
Berk Hess
Moved pull initialization back to mdrunner
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2016-03-17
Carsten Kutzner
Fix membed initialization
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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
Improved update_coords handling of xprime
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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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2016-01-28
Gerrit Code Review
Merge "Merge branch release-5-1"
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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Remove bNotLastFrame
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-24
Berk Hess
Fix exact continuation from non-energy steps
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2016-01-24
Berk Hess
Fix energy file continuation with md-vv
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2016-01-24
Berk Hess
Fix energy average with continuation
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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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2016-01-11
Teemu Murtola
Convert more config.h defines to 0/1
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2016-01-11
Mark Abraham
Improved update_coords
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-07
Mark Abraham
Fix some mdrun header dependencies
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2016-01-07
Mark Abraham
Remove SD2 integrator
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2016-01-07
David van der Spoel
Made normal modes work with shells and vsites
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2016-01-07
Michael Shirts
Fixes two problems related to restarts for vv.
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2016-01-05
Mark Abraham
Fix logic for DD missing-interactions check
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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
Berk Hess
Merge release-5-1 into master
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2015-12-17
Berk Hess
Removed topology pointers from DD struct
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2015-12-17
Mark Abraham
Simplified energy-summation code
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2015-12-15
Erik Lindahl
C++ math function cleanup
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2015-12-15
Teemu Murtola
Move some mdrun code out of gmxlib/
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2015-12-12
Teemu Murtola
Create separate module for trajectory data
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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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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
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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2015-11-30
Teemu Murtola
Move force_flags.h to mdlib/
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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
Moved legacyheaders/types/group.h to mdtypes.
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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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2015-11-20
David van der Spoel
Moved mdatom.h from legacyheader/types to mdtypes.
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2015-11-19
Mark Abraham
Simplified init and mdrun code
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2015-11-16
Mark Abraham
Removed state_global from mdrun energy-summation
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2015-11-16
Mark Abraham
Remove "support" for twin-range with VV integrators
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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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2015-11-15
David van der Spoel
Merged legacyheaders/types/state.h into mdtypes/state.h
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2015-11-14
Teemu Murtola
Move network.h to gmxlib/
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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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2015-11-06
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
David van der Spoel
Moved df_history utility routines from typedefs to...
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2015-11-03
Mark Abraham
Merge branch release-5-1
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2015-10-23
David van der Spoel
Removed energyhistory code from typedefs to a separate...
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2015-10-22
Erik Lindahl
Merge "Merge release-5-0 into release-5-1" into release-5-1
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2015-10-15
Szilard Pall
Fix reset error message
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-09
Mark Abraham
Remove CGLO_RERUNMD
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2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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