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Fix random typos
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrunutility
/
2021-10-29
Mark Abraham
Generalize constraints on MPI rank counts for tests
tree
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-09-10
Berk Hess
Compute correct dV/dl when nstcalcenergy % nstdhdl...
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-08
Pascal Merz
Unify FEP period setting
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commitdiff
2021-06-07
Paul Bauer
Use enum class for checkpoint version
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
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commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-05
Paul Bauer
Apply misc clang-tidy-11 fixes
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
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commitdiff
2021-01-31
Mark Abraham
Require MPI 2.0
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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commitdiff
2021-01-21
Mark Abraham
Suggest a workaround for pulling with -deffnm
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
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commitdiff
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-11-20
Paul Bauer
Fix missing copyright changes
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commitdiff
2020-11-20
M. Eric Irrgang
Create CMake targets for each of the modules.
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commitdiff
2020-11-12
M. Eric Irrgang
Provide common library headers through new CMake target.
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-04
M. Eric Irrgang
Establish `api/` as the home for installed headers.
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-09
Andrey Alekseenko
Try to fix the nightly clang-tidy-9 build
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-09-16
Sebastian Keller
Reduce transitive dependencies in arrayref.h
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
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commitdiff
2020-07-31
Mark Abraham
Move code to prepare for multisim class
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commitdiff
2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
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commitdiff
2020-07-15
Mark Abraham
Divide default communicator from DD communicators
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commitdiff
2020-07-09
Pascal Merz
Divide default communicator from DD communicators
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commitdiff
2020-05-29
Mark Abraham
Make Cygwin build work
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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commitdiff
2020-04-30
M. Eric Irrgang
Update header sorting.
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commitdiff
2020-04-30
M. Eric Irrgang
Require C++17 standard and STL features.
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commitdiff
2020-04-23
Mark Abraham
Fix warnings for no-mpi build
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commitdiff
2020-04-13
Mark Abraham
Fix warnings for no-mpi build
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commitdiff
2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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commitdiff
2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
tree
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
tree
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-15
Berk Hess
Fix multisim with parallel simulation
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commitdiff
2020-01-09
Mark Abraham
Split lines with many copyright years
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
tree
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
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commitdiff
2019-11-21
Mark Abraham
Merge branch release-2020
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
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commitdiff
2019-11-19
Artem Zhmurov
Fix icc-19 warning in nightly matrix
tree
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commitdiff
2019-11-07
Paul Bauer
Apply clang-format to source tree
tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-10-01
Mark Abraham
Fix icc warnings
tree
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commitdiff
2019-10-01
Mark Abraham
Removed dependency on commrec of mdrun setup
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
tree
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commitdiff
2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
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commitdiff
2019-09-24
Magnus Lundborg
Add .part0001. to files from the first run with -noappend.
tree
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
tree
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commitdiff
2019-09-20
Mark Abraham
Refactor to create a GpuTaskAssignments object
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commitdiff
2019-09-11
Mark Abraham
Make gmx_multisim_t a C++ object
tree
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commitdiff
2019-09-11
Mark Abraham
Fix multi-sim restart handling in corner cases
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commitdiff
2019-09-01
Christian Blau
Add checkpointing for MdModules
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commitdiff
2019-08-27
Christian Blau
Add index group option to density fitting
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commitdiff
2019-08-26
Christian Blau
Activation of density fitting and move of module notifi...
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-08-20
Mark Abraham
Fix issues for clang-analyzer-8
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commitdiff
2019-08-06
M. Eric Irrgang
Convert test infrastructure targets to static library...
tree
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
tree
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commitdiff
2019-07-05
Berk Hess
Change affinity enum to enum class
tree
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commitdiff
2019-07-02
Berk Hess
Refactor thread affinity checking
tree
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commitdiff
2019-07-02
Berk Hess
Re-enable affinity diagonostics with MPI
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commitdiff
2019-07-01
Berk Hess
Fix MPI deadlock in affinity setting
tree
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commitdiff
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2019-06-11
Mark Abraham
Clean up multisim, communication, and REMD code
tree
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commitdiff
2019-05-24
Mark Abraham
Reorder code before thread-MPI spawns threads
tree
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commitdiff
2019-05-22
Mark Abraham
Rewrite starting behavior
tree
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commitdiff
2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
tree
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commitdiff
2019-05-22
Mark Abraham
Move functionality to mdrunutility
tree
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commitdiff
2019-04-10
Mark Abraham
Start making IMD and swap model IMDModule
tree
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-02-25
Mark Abraham
Move code out of sim_util.cpp
tree
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
tree
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commitdiff
2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
tree
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commitdiff
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
tree
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commitdiff
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
tree
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commitdiff
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-10-14
M. Eric Irrgang
Add some "to do"s for MDModules and Impl.
tree
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commitdiff
2018-10-01
Mark Abraham
Fix gcc-8 warnings about strings
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commitdiff
2018-09-13
Mark Abraham
Eliminate main.h
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commitdiff
2018-09-07
Roland Schulz
clang-tidy: override
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