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Replace compat::make_unique with std::make_unique
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
forcerec.cpp
2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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2019-01-25
Mark Abraham
Bump required gcc compiler to 5.1
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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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2019-01-22
Berk Hess
Convert NbnxnPairlistGpu to C++
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2019-01-21
Berk Hess
Convert nbnxn_atomdata_t to C++
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2019-01-07
Mark Abraham
Finish removing group-scheme all-vs-all support
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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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2018-12-21
Kevin Boyd
Fix small leak in forcerec
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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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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2018-11-28
Mark Abraham
Introduce GpuBonded
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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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2018-11-05
Paul Bauer
Make QM/MM code always compile
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2018-10-31
Jonathan Vincent
Add CUDA bonded kernels
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-16
Mark Abraham
Task assignment for bonded interactions on CUDA GPUs
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2018-10-12
Berk Hess
Implement assigning bondeds to the GPU
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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2018-09-09
Paul Bauer
Remove macro for group type in topology
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-29
Berk Hess
Refactor wall potential calculation
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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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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-08-04
Roland Schulz
clang-tidy: modernize make-unique/shared
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-11
Roland Schulz
Clang warnings
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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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2018-07-03
Roland Schulz
Change ArrayRef::size_type to signed
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2018-07-02
Mark Abraham
Remove some pieces from forcerec.h
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-28
Berk Hess
Change BlockRanges to class RangePartitioning
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2018-06-28
Roland Schulz
clang-tidy: 4 readability checks
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2018-05-25
Mark Abraham
Clean up force.h and its use
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2018-05-24
Mark Abraham
Remove bDomDec from t_forcerec
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2018-05-24
Mark Abraham
Move responsibility for bonded threading decomposition
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2018-05-24
Berk Hess
Change nbs in nbv to std::unique
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2018-05-23
Berk Hess
Convert nbnxn_search to C++
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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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2018-04-12
Mark Abraham
Remove use of where(), if DEBUG etc.
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2018-04-03
Berk Hess
Convert gmx_mtop_t to C++
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2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-28
Mark Abraham
Free more memory in grompp and mdrun
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2018-03-28
Berk Hess
Remove mols from gmx_mtop_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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2018-03-14
Mark Abraham
Make a persistent physical node communicator
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2018-03-13
Mark Abraham
Add more const to uses of t_commrec and t_inputrec
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2018-03-13
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-06
Berk Hess
Convert t_filenm to C++
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-03-05
Berk Hess
Work around gcc bug with group kernel tables
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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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diff to current
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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2018-02-14
Szilárd Páll
Remove barriers preventing texture reference races
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2018-02-13
Mark Abraham
Separate multisim from commrec
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2018-02-12
Szilárd Páll
Remove texture reference support in the CUDA
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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
Mark Abraham
Merge "Merge branch 'release-2018' into master"
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2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-02-05
Berk Hess
Set cutoff modifiers in forcerec
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2018-01-30
Mark Abraham
Replace macros for multi-sim
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2018-01-23
Mark Abraham
Remove support for implicit solvation
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2018-01-19
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-18
Mark Abraham
Remove support for BlueGene
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2018-01-17
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-17
Berk Hess
Re-enable GPU with walls and 1 energy group
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2018-01-16
Mark Abraham
Merge "Merge release-2018 into master"
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2018-01-16
Roland Schulz
Merge release-2018 into master
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2018-01-11
Mark Abraham
Announce in user log files that features are deprecated.
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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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2017-12-15
Roland Schulz
Revert "Use table Ewald for Skylake"
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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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2017-12-07
Berk Hess
Choose faster nbnxn SIMD kernels on AMD Zen
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-24
Mark Abraham
Separate management of GPU contexts from modules
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2017-11-17
Mark Abraham
Improve handling of PME GPU force buffer
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2017-11-16
Berk Hess
Also print 1x1 pair-list setup to log
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2017-11-02
Mark Abraham
Merge branch release-2016
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