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Fix random typos
[alexxy/gromacs.git]
/
src
/
gromacs
/
applied_forces
/
tests
/
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-26
Artem Zhmurov
Clang-11 fixes for applied forces
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2021-03-19
Paul Bauer
Remove mdatoms from forceprovider call signature
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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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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-09-08
Paul Bauer
Move densityfitting to its own directory
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-10
Christian Blau
Move density fitting checkpointing into state
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commitdiff
2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
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2020-07-15
Mark Abraham
Divide default communicator from DD communicators
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2020-07-07
Paul Bauer
Move densityfitting to its own directory
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2020-05-19
Paul Bauer
Remove unnecessary includes of arrayref.h
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
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2020-03-05
Christian Blau
Add function calls to MdModules to sign up for notifica...
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-18
Christian Blau
Adaptive force scaling for densityfitting
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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'
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-22
Christian Blau
Add cross-correlation as density simlarity measure
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2019-09-19
Christian Blau
Consistently change densityfitting spreading weight...
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2019-09-18
Christian Blau
Add mdp option documentation for density fitting.
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2019-09-11
Christian Blau
Add comments to grompp generated .mdp output for densit...
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2019-09-11
Christian Blau
Densityfitting write int64_t indices instead of gmx...
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2019-09-10
Mark Abraham
Use more RAII semantics with t_commrec
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2019-09-10
Christian Blau
Use the current mass instead of massA in density fittin...
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2019-09-09
Christian Blau
Add option to normalize densities prior to density...
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2019-09-09
Christian Blau
Adding every N-steps option to densityfitting
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commitdiff
2019-09-05
Christian Blau
Add reference density file option to densityfitting
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2019-09-01
Christian Blau
Add checkpointing for MdModules
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commitdiff
2019-08-30
Christian Blau
Implementing the density fitting force provider
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commitdiff
2019-08-27
Christian Blau
Add density fitting parameters
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2019-08-27
Christian Blau
Add index group option to density fitting
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2019-08-26
Christian Blau
Activation of density fitting and move of module notifi...
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-16
Mark Abraham
Move keyvaluetreewriter code
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2019-08-15
Christian Blau
Move densityfitting options and output into seperate...
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2019-08-14
Christian Blau
Info class to name and generate the densityfitting...
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
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commitdiff
2019-06-28
Christian Blau
Add class to look up density fitting amplitudes
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2019-05-03
Berk Hess
Convert manage_threading_t and gmx_enerdata_t to C++
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commitdiff
2019-04-05
Christian Blau
densityfitting - MDModule declaration
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commitdiff
2019-03-19
Mark Abraham
Update ElectricField module
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-11
Roland Schulz
Remove EmptyArrayRef
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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