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Merge branch release-2018 into release-2019
[alexxy/gromacs.git]
/
src
/
gromacs
/
ewald
/
pme.cpp
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-13
Aleksei Iupinov
Add and enable PME OpenCL
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2018-09-29
Mark Abraham
Remove NVML support
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2018-09-10
Berk Hess
Fix PME forces with FE without perturbed q/LJ
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2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
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2018-09-07
Magnus Lundborg
Check q perturbation when PME on GPU is tested
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2018-09-06
Roland Schulz
Change CanBePinned to PinnedIfSupported
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Berk Hess
Merge "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
clang-tidy modernize
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2018-08-12
Roland Schulz
3/3 of old-style casting
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2018-08-08
Roland Schulz
Fix part of old-style casting
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2018-08-06
Roland Schulz
Change gmx_bool from int to bool
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-04
Roland Schulz
Enable more warnings for Clang 6
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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-14
Aleksei Iupinov
Ensure PME with OpenCL does not attempt to pin
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2018-05-28
Aleksei Iupinov
Support persistent device context-derived data in PME...
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2018-05-23
Mark Abraham
Clean up PME testing
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2018-05-15
Berk Hess
Clean up PME domain count passing
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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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2018-04-12
Aleksei Iupinov
Stop PME GPU code from compiling on non-CUDA builds
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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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2018-03-13
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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2018-03-07
Berk Hess
Fix memory leak in PME
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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
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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2018-02-07
Prashanth Kanduri
Cleaning up do_force_cutsVERLET function from wallcycle...
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2018-01-19
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-18
Aleksei Iupinov
Got rid of manual memory management in the PME overlap...
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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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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-28
Aleksei Iupinov
Replace of pmeGPU variable name with pmeGpu
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2017-11-24
Aleksei Iupinov
Do not call mixed CPU+GPU PME mode "Hybrid"
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2017-11-24
Mark Abraham
Separate management of GPU contexts from modules
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2017-11-24
Aleksei Iupinov
Make FFT real-space grid use CUDA pinning for mixed...
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2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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2017-11-02
Aleksei Iupinov
Replace math.h by cmath includes in cpp files
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-30
Aleksei Iupinov
Bring PME GPU/CUDA internal structure names to CamelCase
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2017-10-30
Aleksei Iupinov
Use new/delete for gmx_pme_t
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2017-10-30
Aleksei Iupinov
Simplify PME data handling in runner
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2017-10-29
Aleksei Iupinov
Make PME tuning logic more readable
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2017-10-27
Aleksei Iupinov
Remove unused PME grid dump debug functions
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2017-10-27
Aleksei Iupinov
Remove defunct PME initialization error code return
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2017-10-24
Aleksei Iupinov
Move commrec duty checking into simple getters
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2017-10-21
Berk Hess
Merge "Merge branch release-2016"
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2017-10-21
Aleksei Iupinov
Add calls to the PME GPU stages
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-10-09
Aleksei Iupinov
PME GPU/CUDA data framework.
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2017-10-05
Szilárd Páll
Refactor scaled box handling for PME/Ewald
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-22
Aleksei Iupinov
Separate PME spread and gather wallcycle counters
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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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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2017-05-23
Berk Hess
Make DD setup obey PME restrictions
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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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2017-02-27
Teemu Murtola
Decouple t_inputrec from MDModules
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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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2017-01-19
Aleksei Iupinov
PME B-Spline moduli computation unit test
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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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2016-12-22
Aleksei Iupinov
Remove unused member thread_one from the PME spline...
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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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2016-11-21
Aleksei Iupinov
Move hardcoded PME grid indexing constants into header
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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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