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Disable PME Mixed mode with FEP
[alexxy/gromacs.git]
/
docs
/
doxygen
/
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
tree
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-19
Andrey Alekseenko
Fix random doxygen warnings and typos
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-05
Berk Hess
Remove incorrect cycle suppression
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commitdiff
2020-10-01
Pascal Merz
Update modular simulator docs
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commitdiff
2020-09-30
Paul Bauer
Update CI on 2020 branch
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commitdiff
2020-09-30
Andrey Alekseenko
Fix Doxygen formula generation
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commitdiff
2020-09-11
Paul Bauer
Force use of Python3 in Doxygen CMakeFiles
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commitdiff
2020-09-08
Paul Bauer
Move densityfitting to its own directory
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commitdiff
2020-09-04
Pascal Merz
Introduce CheckpointData
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
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commitdiff
2020-07-15
Pascal Merz
Separate Element from FreeEnergyPerturbationData
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commitdiff
2020-07-14
Pascal Merz
Separate energy data and element
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commitdiff
2020-05-13
Paul Bauer
Fix check source error parsing
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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.
tree
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commitdiff
2020-04-23
M. Eric Irrgang
Use CMake 3.12+ facilities for detecting Python.
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commitdiff
2020-04-10
Christoph Junghans
cmake: fix exported target
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commitdiff
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
tree
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commitdiff
2020-04-02
M. Eric Irrgang
Modernize some Python subprocess calls.
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commitdiff
2020-03-18
Artem Zhmurov
Make some doxygen errors more clear
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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
tree
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-27
Mark Abraham
Make NbnxnGpu class with constructor
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commitdiff
2020-01-16
Mark Abraham
Make nbnxm headers more self-contained
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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
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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commitdiff
2019-12-17
Szilárd Páll
Add wallcycle counting to StatePropagatorDataGpu
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
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commitdiff
2019-11-04
Paul Bauer
Split up source code formatting scripts
tree
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commitdiff
2019-10-30
Pascal Merz
Fix modular simulator documentation
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-10-08
Berk Hess
Make nbnxm a proper module
tree
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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commitdiff
2019-09-25
Mark Abraham
Fix log file flag output
tree
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
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commitdiff
2019-09-17
Pascal Merz
Make modular simulator the default code path for md...
tree
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commitdiff
2019-09-17
Pascal Merz
Enable checkpointing for modular simulator
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commitdiff
2019-09-15
Pascal Merz
Introduce the modular simulator
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commitdiff
2019-09-10
Pascal Merz
CompositeSimulatorElement for the modular simulator
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commitdiff
2019-09-10
Pascal Merz
Coordinate Propagators
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commitdiff
2019-09-10
Pascal Merz
Constraint element for the modular simulator
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commitdiff
2019-09-09
Pascal Merz
Domain decomposition and PME load balancing for modular...
tree
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commitdiff
2019-09-07
Pascal Merz
ForceElement and ShellFCElement for the modular simulator
tree
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commitdiff
2019-09-06
Pascal Merz
ComputeGlobalsElement for the modular simulator
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commitdiff
2019-09-05
Pascal Merz
Introduce topology class for modular simulator
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commitdiff
2019-09-05
Pascal Merz
Rename MicroState to StatePropagatorData for modular...
tree
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commitdiff
2019-09-03
Pascal Merz
Introduce energy element for modular simulator
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commitdiff
2019-08-28
Pascal Merz
Introduce MicroState for modular simulator
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commitdiff
2019-08-28
Pascal Merz
Introduce signallers for modular integrator
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commitdiff
2019-08-28
Pascal Merz
Introduce the main modular simulator interfaces and...
tree
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commitdiff
2019-08-26
Paul Bauer
Remove section checking api level
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commitdiff
2019-08-26
Christian Blau
Activation of density fitting and move of module notifi...
tree
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commitdiff
2019-08-23
Paul Bauer
Removes checker for installed files
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
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commitdiff
2019-08-16
Mark Abraham
Stop nbnxm/grid.h depending on SIMD module
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commitdiff
2019-08-14
Christian Blau
Internal parameter storage for IMDModules
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commitdiff
2019-08-08
Christian Blau
Provide callbacks/notifications for MDModules
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
tree
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commitdiff
2019-07-26
Christian Blau
Fix failing check-source target on python3.6
tree
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commitdiff
2019-06-18
Paul Bauer
Extend ISerializer functionality
tree
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commitdiff
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2019-05-22
Mark Abraham
Rewrite starting behavior
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commitdiff
2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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commitdiff
2019-05-16
Pascal Merz
Use Python 3
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commitdiff
2019-05-02
Mark Abraham
Enhance path search functions
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commitdiff
2019-04-25
Paul Bauer
Add Interface to change coordinate file info
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commitdiff
2019-04-17
Berk Hess
Remove group scheme search code
tree
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-02-17
Berk Hess
Extract nbnxm grid.h and pairlistwork.h
tree
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commitdiff
2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
tree
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commitdiff
2019-02-04
Mark Abraham
Remove SIMD support from group scheme
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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
2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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
2019-01-25
Mark Abraham
Use native cmake C++11 support
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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
2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
tree
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commitdiff
2018-11-16
Roland Schulz
Merge release-2019 into master
tree
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commitdiff
2018-11-05
Paul Bauer
Give more info when trying to build manual
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commitdiff
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-10-16
Mark Abraham
Eliminated t_ifunc from t_interaction_function
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commitdiff
2018-10-15
Mark Abraham
Create ExclusionBlocks
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commitdiff
2018-10-12
Viacheslav Bolnykh
Implemented QM/MM workflow inside core GROMACS
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commitdiff
2018-09-18
Mark Abraham
Add not_null from GSL
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commitdiff
2018-09-17
M. Eric Irrgang
Framework in which to build gmxapi.
tree
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commitdiff
2018-09-13
Roland Schulz
Remove sparc64_hpc_ace nonbonded kernels
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commitdiff
2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
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