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Enable output of average pull force and positions.
[alexxy/gromacs.git]
/
src
/
gromacs
/
pulling
/
pull_internal.h
2018-10-15
Magnus Lundborg
Enable output of average pull force and positions.
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2018-10-03
Magnus Lundborg
Allow using COM of previous step as PBC reference
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2018-09-20
Berk Hess
Change pull buffers to std::vector
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-17
Berk Hess
Make pull pbc atom use LocalAtomSet
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-07-18
Berk Hess
Apply local atom sets in pull code
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2018-07-11
Roland Schulz
clang: undefined-reinterpret-cast, comma, extra-semi
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-29
Berk Hess
Modularize pull_coord_work_t
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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-15
Berk Hess
Fix virial with external pull potential and MPI
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-09-03
Mark Abraham
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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2017-02-15
Mark Abraham
Merge branch release-5-1 into 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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2017-01-03
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
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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2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-07
Berk Hess
Relax pull PBC check
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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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2016-06-22
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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diff to current
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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2016-05-06
Berk Hess
OpenMP parallelization for pull
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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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2016-03-31
Berk Hess
Add option for external pull potential
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2016-03-18
Viveca Lindahl
Added pull coordinate geometry angle-axis
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2016-03-18
Viveca Lindahl
Added pull coordinate geometry dihedral (angle)
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2016-03-18
Viveca Lindahl
Added pull coordinate geometry angle.
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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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2016-01-12
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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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-20
Berk Hess
Merge release-5-1 into master
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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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2015-12-07
Berk Hess
Moved pull params to mdtypes/pull-params.h
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-13
David van der Spoel
Replaced atom_id by int.
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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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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-05
Mark Abraham
Merge release-5-0 into release-5-1
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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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2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
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2015-06-29
Mark Abraham
Merge branch release-5-0
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2015-06-27
Mark Abraham
Merge release-5-0 into master
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2015-06-25
Mark Abraham
Merge release-5-0 into master
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2015-06-18
Berk Hess
Reduced the cost of the pull communication
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2015-06-17
Berk Hess
Refactored pull data structures
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