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Remove obsolete mdp option ns-type
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
readir.cpp
2019-09-16
Berk Hess
Remove obsolete mdp option ns-type
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2019-09-12
Berk Hess
Enable TPI with the Verlet cut-off scheme
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2019-09-01
Christian Blau
Add checkpointing for MdModules
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2019-08-26
Christian Blau
Activation of density fitting and move of module notifi...
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2019-08-25
Christian Blau
Index groups for MdModules from grompp
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2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Mark Abraham
Use potential-shift as default modifier
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2019-08-20
Mark Abraham
Fix issues for clang-analyzer-8
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2019-08-16
Mark Abraham
Move keyvaluetreewriter code
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-28
Berk Hess
Removed generalized reaction-field
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2019-07-02
Kevin Boyd
Remove references to ecutsGROUP
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-03
Paul Bauer
Replace t_grps with std::vector
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2019-04-16
Mark Abraham
Removed mdrun -gcom
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2019-04-10
Mark Abraham
Start making IMD and swap model IMDModule
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2019-04-04
Paul Bauer
Fix segmentation fault with simulated annealing
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2019-04-02
Paul Bauer
Add std::string case insensitive compare
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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2019-04-02
Paul Bauer
Fix simulated annealing and add test
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2019-03-04
Paul Bauer
Merge "Merge branch release-2019"
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-26
Berk Hess
Correct grompp index file error message
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2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-13
Paul Bauer
Move simulated tempering default setting
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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-26
Roland Schulz
Fix clang warning
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2019-01-23
Roland Schulz
Merge release-2019 into master
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-23
Roland Schulz
Turn SystemAtomIterator into proper iterator
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2019-01-18
Paul Bauer
Change one gmx_mtop_t atom loop to C++
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2019-01-02
Mark Abraham
Merge branch release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-10
Paul Bauer
Use more const references in topology code
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2018-11-22
Mark Abraham
Merge "Merge branch 'release-2019'"
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2018-11-21
David van der Spoel
Merge branch 'release-2019'
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-11-16
Berk Hess
grompp now checks tau-p>=2*tau-t with NH+PR
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2018-10-31
Berk Hess
Correct grompp nstexpanded/nstcalcenergy check
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-09
Viacheslav Bolnykh
Implemented changes to preprocessor to work with MiMiC...
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2018-09-19
Berk Hess
Convert gmx_ffparams_t to C++
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2018-09-14
Berk Hess
Change gmx_moltype_t.ilist to InteractionLists
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2018-09-14
Roland Schulz
Warn for type mismatch for gmx printf like functions 3/3
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
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2018-09-09
Paul Bauer
Remove macro for group type in topology
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2018-09-07
Mark Abraham
Fix grompp memory leaks
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2018-09-07
Roland Schulz
clang-tidy: override
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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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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 1/2
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-08
Roland Schulz
Fix part of old-style casting
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2018-07-30
Joe Jordan
remove most debug flags from gmxpreprocess
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2018-07-17
Joe Jordan
change gmx_bool to bool in gmxpreprocess
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-10
Roland Schulz
Clang warnings: unreachable
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-29
Roland Schulz
clang-tidy: readibility redundant
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2018-06-28
Roland Schulz
clang-tidy: performance-type-promotion-in-math-fn
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2018-06-07
Paul Bauer
Change use of t_inpfile to std::vector
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2018-06-07
Paul Bauer
Remove macros in input file reading
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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
Berk Hess
Convert gmx_mtop_t to C++
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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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2018-03-16
Aleksei Iupinov
Restore the lost mc_temp check in grompp
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-09
Mark Abraham
Merge branch release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-23
Mark Abraham
Remove support for implicit solvation
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2018-01-17
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-16
Berk Hess
Remove tumbling ice-cube warning with SD
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-17
Roland Schulz
Merge branch release-2018
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2017-12-14
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-11
Paul Bauer
Disallow combination of PME-user and verlet cutoff
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-19
Viveca Lindahl
Add AWH biasing module + tests
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biod.pnpi.spb.ru / alexxy / gromacs.git / history