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alexxy/gromacs.git
2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-18
Roland Schulz
clang-tidy: google tests applicable
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2018-08-18
Roland Schulz
Enable clang tidy/warnings for tests
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2018-08-17
Berk Hess
Make pull pbc atom use LocalAtomSet
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2018-08-14
Paul Bauer
Updated links in user guide
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2018-08-14
Roland Schulz
Fix int/bool bugs
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2018-08-14
Joe Jordan
Add chainsep and merge tests for pdb2gmx
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2018-08-14
Roland Schulz
Remove BasicVector.as_vec
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2018-08-13
Roland Schulz
Remove code duplication in trajana/modules/trajectory
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2018-08-13
Roland Schulz
Remove cppcheck
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2018-08-13
Roland Schulz
Fix MSD
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2018-08-12
Roland Schulz
3/3 of old-style casting
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2018-08-12
Roland Schulz
Add _real user defined literal
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2018-08-11
Roland Schulz
Enable clang-tidy for headers
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2018-08-10
Roland Schulz
Avoid using global variables in programs
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2018-08-10
Kevin Boyd
Added physical validation document to the dev manual.
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2018-08-09
Christian Blau
Remove Debug Helpers from Essential Dynamics code.
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2018-08-08
Christian Blau
Local atom sets in rotational pulling.
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2018-08-08
Roland Schulz
2/3 of old-style casting
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2018-08-08
M. Eric Irrgang
Enable ccache compiler wrapper when available.
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2018-08-08
Christian Blau
Essential dynamics functions use const-ref for input...
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2018-08-08
Christian Blau
Split essential dynamics eigenvector reading.
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2018-08-08
Christian Blau
Make essential dynamics a C++ type.
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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
M. Eric Irrgang
Add some developer help to Developer Guide.
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2018-08-07
Paul Bauer
Remove duplicate entry for Doxygen from dev manual
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2018-08-07
Christian Blau
Local atom sets in compEL / ion swapping code.
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2018-08-07
Roland Schulz
Fix clang-tidy MPI warnings
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2018-08-06
Roland Schulz
Change gmx_bool from int to bool
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2018-08-06
Roland Schulz
Disable FPE for GCC 7.* with optimizations
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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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2018-08-04
Kevin Boyd
Support hwloc 2.x.x
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2018-08-04
Christian Blau
Split essential dynamics reading routine
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2018-08-01
M. Eric Irrgang
Remove extraneous gitignore line.
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2018-07-31
Mark Abraham
Clean up inputrec structs
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2018-07-30
Szilárd Páll
Move out OpenCL device utils from vectype ops
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2018-07-30
Joe Jordan
remove most debug flags from gmxpreprocess
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2018-07-30
Aleksei Iupinov
Remove hardcoded warp_size == 32 assumption from PME GPU
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2018-07-30
Roland Schulz
Disable FPEs at end of runner
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2018-07-24
Paul Bauer
Change manual section on restarts w/o checkpoint
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2018-07-18
Berk Hess
Apply local atom sets in pull code
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2018-07-17
Mark Abraham
Update clang static analyzer to version 6
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2018-07-17
Joe Jordan
change gmx_bool to bool in gmxpreprocess
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2018-07-17
Christian Blau
Local atom set handling during simulations.
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2018-07-16
Roland Schulz
Fix Windows+Intel
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2018-07-16
Christian Blau
Add LocalAtomSet for handling atom indices.
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2018-07-16
Mark Abraham
Updated infrastructure for comparing mdrun output in...
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-16
Mark Abraham
Replacement for pdb2gmx tests
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2018-07-16
Roland Schulz
Enable debug FP exceptions without TPI, not with TPI
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2018-07-14
Roland Schulz
MSVC: enable code analysis
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2018-07-12
Roland Schulz
Fix clang-tidy cmake messages
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2018-07-12
Roland Schulz
Fix attribute usage
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2018-07-12
Roland Schulz
Temporary disable armhpc-18.2
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2018-07-12
Roland Schulz
Require ICC 17.0.1
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2018-07-12
Mark Abraham
Bump minimum MSVC version to 2017
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2018-07-11
Roland Schulz
clang: undefined-reinterpret-cast, comma, extra-semi
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2018-07-11
Roland Schulz
Fix custom build types with cmake 3.11
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2018-07-11
Roland Schulz
Clang warnings
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2018-07-11
Mark Abraham
Split TopologyInformation into its own header
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2018-07-10
Mark Abraham
Add infrastructure for tools cleanup
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2018-07-10
Roland Schulz
Clang warnings: unreachable
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2018-07-08
Mark Abraham
Clarify the implementation of selection -ofpdb output
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2018-07-06
Mark Abraham
Use fewer gcc-4.8 configurations
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2018-07-06
Mark Abraham
Fix warnings in internal xdr code
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2018-07-06
Mark Abraham
Merge "Merge release-2018 into master"
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2018-07-06
Roland Schulz
Fix AVX_512_KNL
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2018-07-05
Roland Schulz
Fix compiler warnings in OCL
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-04
Roland Schulz
Enable more warnings for Clang 6
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2018-07-04
Roland Schulz
Fix ManageLmfit
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2018-07-03
Roland Schulz
Fix post-submit issues
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2018-07-03
Mark Abraham
Fix clang CUDA build
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2018-07-03
Roland Schulz
Change ArrayRef::size_type to signed
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2018-07-03
Berk Hess
Convert gmx_hash_t to C++
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2018-07-03
Roland Schulz
clang-tidy: misc-misplaced-widening-cast
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2018-07-03
Roland Schulz
clang-tidy: misc-misplaced-const
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2018-07-03
Roland Schulz
clang-tidy: more misc+readability
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2018-07-03
Berk Hess
Localize variables in dd_redistribute_cg()
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2018-07-02
Berk Hess
Convert DD DLB cell size handling to C++
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2018-07-02
Mark Abraham
Remove some pieces from forcerec.h
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2018-07-02
Berk Hess
Fix recent bug with 2D/3D DLB
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2018-07-01
Roland Schulz
Enable clang-tidy NullDereference
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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-07-01
Berk Hess
Removed smalloc.h from many DD files
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2018-06-30
Roland Schulz
clang-tidy: misc-string-compare+perf-value-param
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2018-06-29
Roland Schulz
clang-tidy: readability-non-const-parameter (1/2)
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2018-06-29
Berk Hess
Convert gmx_domdec_constraints_t to C++
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2018-06-29
Berk Hess
Convert gmx_domdec_specat_comm_t to C++
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2018-06-29
Berk Hess
Initialize DD DLB variable
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2018-06-29
Berk Hess
New quote from a referee
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2018-06-29
Roland Schulz
clang-tidy: misc-suspicious-missing-comma
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-29
Mark Abraham
New quote from ISC2018
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2018-06-29
Roland Schulz
clang-tidy: readibility redundant
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2018-06-29
Roland Schulz
clang-tidy: misleading-indentation+noexcept-move
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2018-06-29
Roland Schulz
clang-tidy: Enable bugprone-integer-division
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2018-06-29
Roland Schulz
Add clang-tidy to pre-submit
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