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Bulk change to const ref for mtop
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
solvate.cpp
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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2020-01-09
Mark Abraham
Split lines with many copyright years
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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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2019-09-25
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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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-11
Kevin Boyd
Clean up gmx solvate
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2019-06-27
Kevin Boyd
Use random water removal in gmx solvate
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-14
Mark Abraham
Revert changes to implementation of insert-molecules...
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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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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2019-01-16
Paul Bauer
Fix memory leak in solvate
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2019-01-14
Paul Bauer
Refactor AtomProperties into C++
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2019-01-11
Paul Bauer
Make AtomProperties class with Impl
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-01
Mark Abraham
Fix gcc-8 warnings about strings
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2018-09-11
Mark Abraham
Replace C-style library file handling with RAII approaches
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2018-09-11
Mark Abraham
Replace readConformation with TopologyInformation
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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
clang-tidy modernize
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2018-08-13
Roland Schulz
Remove cppcheck
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2018-08-06
Kevin Boyd
Fix gmx solvate topology updating
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2018-07-17
Joe Jordan
change gmx_bool to bool in gmxpreprocess
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2018-07-06
Mark Abraham
Merge "Merge release-2018 into master"
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-06-08
Paul Bauer
Fix gmx solvate with multiple solvent molecule types
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2018-05-30
Paul Bauer
Disallow use of empty box information in solvent files
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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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2018-03-28
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
Merge "Merge branch release-2018"
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2018-03-06
Berk Hess
Convert t_filenm to C++
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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diff to current
2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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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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2017-11-02
Mark Abraham
Merge branch release-2016
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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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2017-09-17
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
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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2017-07-19
David van der Spoel
Fixed test-order dependency in gmxpreprocess tests.
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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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2017-05-29
Teemu Murtola
Avoid some incorrect behavior with gmx solvate
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-04-06
Teemu Murtola
Fix memory access issues in gmx solvate
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-18
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-03-14
Mark Abraham
Merge branch release-2016
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diff to current
2017-02-28
Gerrit Code Review
Merge "Merge branch release-5-1 into release-2016"...
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2017-02-27
David van der Spoel
Fixes bug in gmx solvate with -shell that yielded 0...
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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diff to current
2017-02-08
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-07
Mark Abraham
Introduced system preparation section to user guide
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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history