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Add DSSP v4 support to do_dssp
[alexxy/gromacs.git]
/
src
/
gromacs
/
fileio
/
pdbio.cpp
2021-11-01
Eliane Briand
Add DSSP v4 support to do_dssp
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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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2021-09-07
Mark Abraham
Replace ResidueTypeMap with std::unordered_map
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2021-09-01
Mark Abraham
Use better data structure to implement ResidueType
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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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2021-06-17
Mark Abraham
Rework -Weverything
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-23
Andrey Alekseenko
Fix beningn GCC 10.2 Wstringop-truncation warnings
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2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
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2021-03-09
ejjordan
Move radian-angle conversions to math/utility
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2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
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2021-03-05
Mark Abraham
Fix clang-format and naming of static variable
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2021-03-05
Mark Abraham
Introduce StringToEnumValue
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-03-02
Paul Bauer
Modernize atom enums
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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-2021' into merge-2021...
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-04
M. Eric Irrgang
Establish `api/` as the home for installed headers.
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-09
Paul Bauer
Remove under the hood editing of pdb files
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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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2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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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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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-28
Mark Abraham
Merge "Merge origin/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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2019-12-17
Paul Bauer
Fix formatting error
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2019-11-30
Paul Bauer
Merge origin/release-2020 into master
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2019-11-29
Berk Hess
Merge "Merge branch 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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2019-11-25
Christian Blau
Fix duplicate CONNECT records in pdb files
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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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2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
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2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-24
Paul Bauer
Fix PQR formatting
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2019-03-07
Mark Abraham
Remove ineffective code for writing more TER fields...
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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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2019-01-30
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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2019-01-21
Paul Bauer
Refactor ResidueTypes
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2019-01-17
Paul Bauer
Change ResidueTypes to class
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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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2018-09-21
Roland Schulz
Fix clang-tidy warnings for clang 7
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2018-08-29
Mark Abraham
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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2018-08-08
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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2018-07-06
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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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-06
Paul Bauer
Fix PQR file output
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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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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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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2017-08-29
Roland Schulz
Enable missing declarations warning
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biod.pnpi.spb.ru / alexxy / gromacs.git / history