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Fix nightly build
2019-09-10
Paul Bauer
Fix nightly build
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2019-09-10
Paul Bauer
Add method to extract clusters from trajectory
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2019-09-09
Paul Bauer
Add gmx convert-trj
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2019-08-28
Paul Bauer
Fix return value
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2019-08-28
Paul Bauer
Have selections available for mdrun only
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2019-08-28
Paul Bauer
Change tolerance for normal mode tests
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2019-08-26
Paul Bauer
Remove section checking api level
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2019-08-26
Paul Bauer
Remove installed headers from CMake
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2019-08-23
Paul Bauer
Removes checker for installed files
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2019-08-09
Paul Bauer
Add conversion from legacy to modern matrix type
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2019-08-05
Paul Bauer
Add replacements for pbc enumerations
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2019-08-05
Paul Bauer
Add free function to convert matrix type
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-30
Paul Bauer
Add wrapper for outputadapter methods
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2019-07-24
Paul Bauer
Fix doxygen in coordianteio files
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2019-07-24
Paul Bauer
Add outputadapters (3/3)
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2019-07-18
Paul Bauer
Extend MDLogger levels
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2019-07-17
Paul Bauer
Move methods out from trjconv
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2019-07-09
Paul Bauer
Fix link to acpype repository
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2019-07-09
Paul Bauer
Fix postsubmit
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2019-07-08
Paul Bauer
Fix issues found by clang-tidy 7
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2019-07-02
Paul Bauer
Fix bug in gmx xpm2ps
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2019-06-20
Paul Bauer
Use ISerializer for TPR file IO
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2019-06-19
Paul Bauer
Split tpr header reading reading from tpr body
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2019-06-18
Paul Bauer
Fix gmx dump
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2019-06-18
Paul Bauer
Extend ISerializer functionality
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2019-06-14
Paul Bauer
Prepare for 2019.4
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2019-06-14
Paul Bauer
Version 2019.3
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-06-12
Paul Bauer
Fix qsort not being defined on Apple Clang
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2019-06-11
Paul Bauer
Fix residue and molecule indexing in selections
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2019-06-11
Paul Bauer
Extend information for gmxcpp syntax error.
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2019-06-11
Paul Bauer
Add check for too many grid points in hbond
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2019-05-29
Paul Bauer
Version 2018.7
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2019-05-27
Paul Bauer
Add more info for wrong line endings
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2019-05-24
Paul Bauer
Fix PQR formatting
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2019-05-24
Paul Bauer
Fix membrane embedding
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2019-05-23
Paul Bauer
Add check for allocating too many interactions
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2019-05-13
Paul Bauer
Prepare for 2018.7
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2019-05-13
Paul Bauer
Fix math formatting in reference manual
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2019-05-10
Paul Bauer
Remove more manual memory management
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2019-05-03
Paul Bauer
Add outputadapters (2/3)
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2019-05-03
Paul Bauer
Replace t_grps with std::vector
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2019-05-02
Paul Bauer
Add outputadapters (1/3)
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2019-05-02
Paul Bauer
Add builder for TrajectoryFileWriter
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2019-05-02
Paul Bauer
Fix FPE in do_steep
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2019-04-26
Paul Bauer
Add C++ coordinate file writing method.
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2019-04-25
Paul Bauer
Add Interface to change coordinate file info
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2019-04-18
Paul Bauer
Update clang-tidy to check for dangling references
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2019-04-17
Paul Bauer
Enable printing of known issues in commandline
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2019-04-17
Paul Bauer
Create gmx::compat::string_view
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2019-04-16
Paul Bauer
Refactor t_pindex
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2019-04-16
Paul Bauer
Prepare for version 2019.3
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2019-04-16
Paul Bauer
Version 2019.2
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2019-04-16
Paul Bauer
Fix off-by-one error in gmx cluster
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2019-04-07
Paul Bauer
Remove t_topology from two preprocess tools
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2019-04-04
Paul Bauer
Update developer guide for changes to Gerrit
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2019-04-04
Paul Bauer
Fix segmentation fault with simulated annealing
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2019-04-03
Paul Bauer
Fix post submit
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2019-04-02
Paul Bauer
Refactor gpp_bond_atomtype
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2019-04-02
Paul Bauer
Add std::string case insensitive compare
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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2019-04-02
Paul Bauer
Fix simulated annealing and add test
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2019-03-22
Paul Bauer
Add simple tests for symbol table
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2019-03-20
Paul Bauer
Add simple test to preprocess bond atom type
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2019-03-20
Paul Bauer
Add test for string comparison
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2019-03-19
Paul Bauer
Fix case insensitive string comparison
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2019-03-18
Paul Bauer
Simple tests for C-style string comparison
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2019-03-13
Paul Bauer
Add tests for preprocess atom types
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2019-03-13
Paul Bauer
Remove custom datastructure in vsite preprocessing
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2019-03-13
Paul Bauer
Fix errors caused by automatic rebase
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2019-03-13
Paul Bauer
Refactor t_param to InteractionType
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2019-03-12
Paul Bauer
Fix formatting error in user guide reference
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2019-03-08
Paul Bauer
Refactor preprocessing atom types.
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2019-03-08
Paul Bauer
Minor refactoring in vsite_parm
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2019-03-06
Paul Bauer
Add error when manual cannot be built
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2019-03-04
Paul Bauer
Merge "Merge branch release-2019"
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2019-02-27
Paul Bauer
Refactor t_params to InteractionTypeParameters
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2019-02-25
Paul Bauer
Refactor ExclusionBlocks
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2019-02-22
Paul Bauer
Add tests for ExclusionBlocks
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2019-02-21
Paul Bauer
Reorganize release notes
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2019-02-21
Paul Bauer
Refactor t_molinfo to MoleculeInformation class
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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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2019-02-20
Paul Bauer
Version 2018.6
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2019-02-20
Paul Bauer
Fix release notes formatting
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2019-02-19
Paul Bauer
Prepare for 2019.2
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2019-02-19
Paul Bauer
Change icc-18 to no-hwloc
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2019-02-15
Paul Bauer
Fix memory leaks in editconf
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2019-02-15
Paul Bauer
Fix memory issues in preprocess
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2019-02-15
Paul Bauer
Refactor vsite topology
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2019-02-15
Paul Bauer
Version 2019.1
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2019-02-15
Paul Bauer
Fix tune_pme
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2019-02-13
Paul Bauer
Refactor rtp renaming
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2019-02-13
Paul Bauer
Move simulated tempering default setting
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2019-02-12
Paul Bauer
Refactor special bonds
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2019-02-12
Paul Bauer
Refactor t_rbonded and t_rbondeds
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2019-02-12
Paul Bauer
Refactor t_restp
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2019-02-11
Paul Bauer
Refactor t_hack to MoleculePatches
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2019-02-11
Paul Bauer
Fix bug in residue type reading
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