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Fix part of old-style casting
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
md.cpp
2018-08-08
Roland Schulz
Fix part of old-style casting
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-08-07
Christian Blau
Local atom sets in compEL / ion swapping code.
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2018-08-05
Mark Abraham
Reform enforced rotation working data
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2018-08-04
Roland Schulz
clang-tidy: modernize make-unique/shared
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-06-28
Roland Schulz
clang-tidy: 4 readability checks
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2018-06-13
Mark Abraham
Call Constraints::setConstraints with other setup code
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2018-06-06
Mark Abraham
Move IMD initialization and fuse DD setup
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2018-06-05
Mark Abraham
Make proper BoxDeformation class
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2018-06-05
Mark Abraham
Make Constraints a proper class
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2018-06-04
Mark Abraham
Update Awh initialization and lifetime management
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2018-06-04
Mark Abraham
Remove redundant shell-code fatal errors
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2018-05-24
Mark Abraham
Move responsibility for bonded threading decomposition
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2018-05-23
Berk Hess
Split off collect.cpp from domdec.cpp
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2018-05-04
Mark Abraham
Merge "Merge branch release-2018"
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2018-05-04
Mark Abraham
More const correctness
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-25
Mark Abraham
Refactor SD update
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2018-04-17
Mark Abraham
Shift per-step control logic to do_md
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2018-04-17
Mark Abraham
Break apart update_constraints
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-12
Mark Abraham
Remove use of where(), if DEBUG etc.
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2018-04-05
Mark Abraham
Simplified handling of simulation runners
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2018-04-05
Mark Abraham
Create gromacs/mdrun module and move code there
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