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Merge branch release-2016
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
grompp.cpp
2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-07
Berk Hess
Add mdp option check with decoupled modes
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-02
David van der Spoel
Only print all dangling atoms with grompp -v
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-23
Mark Abraham
Stopped header files including state.h
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2017-01-21
Mark Abraham
Removed init_state
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2017-01-19
Berk Hess
Fix PME order and grid size checks
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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
Mark Abraham
Merge branch release-2016
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-07
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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2016-10-15
Teemu Murtola
Fix most memory leaks recently introduced
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2016-10-11
Berk Hess
Speed up mtop_util atom lookup
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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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2016-09-29
Berk Hess
Use std::vector in t_state
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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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2016-09-04
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
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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2016-07-08
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
Teemu Murtola
Factory for creating t_inputrec
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2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-24
Berk Hess
Fix Verlet buffer calculation with nstlist=1
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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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2016-05-30
Berk Hess
Add grompp check for unbound atoms
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2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
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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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2016-04-01
Mark Abraham
Revert to treating -1 as "generate a seed" in .mdp
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2016-03-31
Berk Hess
Add option for external pull potential
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2016-03-19
Mark Abraham
Add more const correctness
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2016-03-09
Erik Lindahl
Random engines & distributions as proper C++11 classes
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-06
Mark Abraham
Merge branch 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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2016-01-08
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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2015-12-28
Mark Abraham
Create invertmatrix.h
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-26
Teemu Murtola
Clean up vec.h
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2015-12-20
Berk Hess
Merge release-5-1 into master
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2015-12-16
Teemu Murtola
Move calcgrid.* to fft/
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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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2015-12-15
Teemu Murtola
Move readinp.* and warninp.* to fileio/
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2015-12-12
Teemu Murtola
Create separate module for trajectory data
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2015-12-12
Teemu Murtola
Move ifunc.* to topology/
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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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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-30
Teemu Murtola
Move ifunc.h to gmxlib
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2015-11-20
David van der Spoel
Merged legacyheaders/types/ns.h and nblist.h to mdtypes...
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2015-11-20
David van der Spoel
Combine enums.h and names*.
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
Mark Abraham
Remove AdResS
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2015-11-13
David van der Spoel
Moved genborn.h to mdlib
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2015-11-12
David van der Spoel
Moved txtdump.* to fileio.
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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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2015-11-01
David van der Spoel
Replaced NOTSET from typedefs.h by local solutions.
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2015-10-18
David van der Spoel
Moved pbc/cut-off related utilities from typedefs to...
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2015-10-14
Mark Abraham
Simplify genconf
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2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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2015-10-03
Teemu Murtola
Merge branch release-5-1 into master
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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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2015-09-25
Teemu Murtola
More legacyheaders to gmxlib/mdlib
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2015-09-25
Teemu Murtola
Move some headers from legacyheaders to mdlib/gmxlib
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2015-09-25
David van der Spoel
Removed include of types/ifunc.h from typedefs.h
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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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2015-09-09
David van der Spoel
Removed fileio/trx.h from typedefs.h
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2015-08-29
Teemu Murtola
Remove separate title parameter for read_tps_conf()
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2015-08-28
Teemu Murtola
Remove read_stx_conf() and get_stx_coordnum() uses
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2015-08-15
Teemu Murtola
Merge "Merge branch release-5-1 into master"
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2015-08-14
Mark Abraham
Merge branch release-5-1 into master
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2015-08-06
Roland Schulz
Replace AI, AJ, .. and C0, C1, C2 macros with functions
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2015-07-26
Erik Lindahl
Merge branch release-5-1
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2015-07-24
Mark Abraham
Merge branch release-5-1
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biod.pnpi.spb.ru / alexxy / gromacs.git / history