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Merge branch release-2016
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
mdrun.cpp
2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-17
Aleksei Iupinov
Merge "Merge branch release-5-1 into release-2016"...
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-10
Mark Abraham
Clarify data flow in GPU task assignment
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2017-08-01
Mark Abraham
Introduced Mdrunner high-level class
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2017-07-13
Mark Abraham
Clean up gmx_mdrun()
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-06-21
Mark Abraham
Remove bUserSetGpuIds field
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2017-06-12
Berk Hess
Disable PME tuning with the group scheme
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2017-06-10
Berk Hess
Put replica exchange parameters in a struct
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-07
Mark Abraham
Merge branch release-2016
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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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2017-01-14
Mark Abraham
Merge branch release-2016
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2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-12-20
Gerrit Code Review
Merge "Merge branch release-2016"
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2016-12-20
Mark Abraham
Sanitize some include headers
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2016-12-20
Mark Abraham
Merge branch release-2016
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-08
Berk Hess
Made mdrun -pforce terminate with non-finite forces
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2016-12-07
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-16
Berk Hess
Merge branch release-2016
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2016-09-12
Teemu Murtola
Fix various memory leaks
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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
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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2016-07-12
Mark Abraham
Merge branch release-2016
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2016-07-09
Erik Lindahl
Prevent fragile use cases of checkpoint appending
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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
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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2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-05-27
Mark Abraham
Fix reading of bonded tables
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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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2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-04-13
Szilárd Páll
Spelling fixes
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2016-03-18
Nicholas Breen
Various minor spelling fixes - messages and code commen...
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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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2016-02-19
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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2016-02-08
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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2016-01-11
Teemu Murtola
Convert more config.h defines to 0/1
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-27
Berk Hess
Reorganized domdec initialization
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2015-12-20
Berk Hess
Merge release-5-1 into master
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2015-12-15
Teemu Murtola
Move main.*, splitter.*, gmx_omp_nthreads.* to mdlib
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2015-12-15
Teemu Murtola
Move readinp.* and warninp.* to fileio/
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2015-12-12
Berk Hess
Removed unused mdrun option -dn
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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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2015-11-30
Teemu Murtola
Merge remaining legacyheaders/types/ to mdtypes/
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
Mark Abraham
Remove AdResS
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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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2015-11-04
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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2015-10-13
Mark Abraham
Merge branch release-4-6 into release-5-0
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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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2015-10-03
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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2015-09-27
Teemu Murtola
More headers out of legacyheaders
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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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2015-09-06
Mark Abraham
Add GROMACS 5 paper to paper lists
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2015-08-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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biod.pnpi.spb.ru / alexxy / gromacs.git / history