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Fix clang-tidy warnings for OCL
[alexxy/gromacs.git]
/
src
/
2018-09-12
Roland Schulz
Fix clang-tidy warnings for OCL
tree
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commitdiff
2018-09-12
Berk Hess
Convert DD gmx_reverse_top_t to C++
tree
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commitdiff
2018-09-11
Roland Schulz
Fix SSE4.1 after change to C++
tree
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commitdiff
2018-09-11
Mark Abraham
Replace C-style library file handling with RAII approaches
tree
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commitdiff
2018-09-11
Mark Abraham
Improve DD logging
tree
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commitdiff
2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
tree
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commitdiff
2018-09-11
David van der Spoel
Added option to gmx nmeig to print ZPE.
tree
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commitdiff
2018-09-11
Mark Abraham
Replace readConformation with TopologyInformation
tree
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commitdiff
2018-09-11
Pascal Merz
Added trivial const qualifiers
tree
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commitdiff
2018-09-11
Pascal Merz
Initialize total_vir and pres in init_md
tree
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commitdiff
2018-09-10
M. Eric Irrgang
Remove const from pointers in t_filenm.
tree
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commitdiff
2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
tree
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commitdiff
2018-09-10
Roland Schulz
Add roundToInt
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commitdiff
2018-09-09
Mark Abraham
Change TopologyInformation implementation
tree
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commitdiff
2018-09-09
Paul Bauer
Remove macro for group type in topology
tree
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commitdiff
2018-09-07
Mark Abraham
Fix grompp memory leaks
tree
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commitdiff
2018-09-07
Roland Schulz
clang-tidy: override
tree
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commitdiff
2018-09-07
Magnus Lundborg
Check q perturbation when PME on GPU is tested
tree
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commitdiff
2018-09-07
Mark Abraham
Separate simulation database used in tests
tree
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commitdiff
2018-09-07
Roland Schulz
Simplify Allocator
tree
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commitdiff
2018-09-06
Roland Schulz
HostAllocator: Remove unnecessary template
tree
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commitdiff
2018-09-06
Roland Schulz
Remove pin/unpin from HostAllocator
tree
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commitdiff
2018-09-06
Roland Schulz
Change CanBePinned to PinnedIfSupported
tree
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commitdiff
2018-09-05
Roland Schulz
Remove meta information from host allocator policy
tree
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commitdiff
2018-09-05
Mark Abraham
Be quieter when failing to detect GPUs
tree
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commitdiff
2018-09-03
Roland Schulz
Reduce duplication in gpu_utils
tree
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commitdiff
2018-09-02
Roland Schulz
Turn DlbState into scoped enum
tree
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commitdiff
2018-08-30
Paul Bauer
More fixes from clang-tidy-7
tree
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commitdiff
2018-08-30
Christian Blau
Convert essential dynamics C-structs to C++ pt1.
tree
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commitdiff
2018-08-30
Christian Blau
Store essential dynamics parameters as vectors instead...
tree
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commitdiff
2018-08-30
Mark Abraham
Update testing matrices for coverage and speed
tree
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commitdiff
2018-08-29
Mark Abraham
Merge branch release-2018
tree
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commitdiff
2018-08-29
M. Eric Irrgang
Allow extensible MDModules and forceProviders.
tree
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commitdiff
2018-08-29
Berk Hess
Refactor wall potential calculation
tree
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commitdiff
2018-08-29
Roland Schulz
Use more const in hardwaretopology
tree
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commitdiff
2018-08-29
Roland Schulz
Fix clang-tidy build with libstdc++ >= 7
tree
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commitdiff
2018-08-28
Mark Abraham
Fix more clang-tidy issues
tree
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commitdiff
2018-08-28
Szilárd Páll
Quiet cmake about clFFT not found after first run
tree
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commitdiff
2018-08-28
boristim
Updates to gmx cluster
tree
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commitdiff
2018-08-27
Mark Abraham
Fix use of nullptr
tree
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commitdiff
2018-08-27
Aleksei Iupinov
Prepare pme-gpu-types.h for OpenCL
tree
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commitdiff
2018-08-27
Roland Schulz
Enable more clang-tidy checks for new code
tree
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commitdiff
2018-08-26
Alexey Shvetsov
Add basic operations for gmx::BasicVector<>
tree
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commitdiff
2018-08-24
Berk Hess
Replace gmx_hash_t by HashedMap
tree
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commitdiff
2018-08-24
Berk Hess
Merge "Merge branch release-2018"
tree
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commitdiff
2018-08-24
Berk Hess
Add size optimization to HashedMap
tree
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commitdiff
2018-08-24
Berk Hess
Add tests for HashedMap
tree
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commitdiff
2018-08-24
Mark Abraham
Fix build without TNG
tree
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commitdiff
2018-08-24
Mark Abraham
Merge branch release-2018
tree
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commitdiff
2018-08-24
Joe Jordan
change some char to string in gmxpreprocess
tree
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commitdiff
2018-08-22
Paul Bauer
Fix trjconv when running without a structure file
tree
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commitdiff
2018-08-22
Mark Abraham
Fix handling of counter resets
tree
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commitdiff
2018-08-22
Berk Hess
Fix missing interactions with GPU and DD
tree
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commitdiff
2018-08-22
Joe Jordan
Fix pdb2gmx -chainsep
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commitdiff
2018-08-22
Mark Abraham
Permit PME on GPUs only for dynamical integrators
tree
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commitdiff
2018-08-21
Szilárd Páll
Request flushing denorms to zero in OpenCL
tree
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commitdiff
2018-08-21
Berk Hess
Ensure domains are large enough for atom motion
tree
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commitdiff
2018-08-21
Berk Hess
Fixed mdrun segv with QM/MM ONIOM scheme
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commitdiff
2018-08-21
Mark Abraham
Re-implemented mdrun -rerun tests
tree
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commitdiff
2018-08-21
Mark Abraham
Fix assertions for SD update
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commitdiff
2018-08-21
Christian Blau
Add test for structural similarity measures rmsd and...
tree
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commitdiff
2018-08-20
Berk Hess
Refactor calc_verlet_buffer_size()
tree
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commitdiff
2018-08-20
Berk Hess
Remove compacting from DD redistribute
tree
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commitdiff
2018-08-20
Berk Hess
Fix Verlet buffer estimate with BD
tree
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commitdiff
2018-08-20
Berk Hess
Fix clang namespace comment warning
tree
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commitdiff
2018-08-20
Berk Hess
Fix assertion failure in CG
tree
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commitdiff
2018-08-20
Berk Hess
Really fix CG with multiple domains
tree
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commitdiff
2018-08-20
Berk Hess
Make gmx_ga2la_t a proper class
tree
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commitdiff
2018-08-20
Roland Schulz
Remove macros in utility/tests/arrayref
tree
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commitdiff
2018-08-19
Roland Schulz
Fix simd-test
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commitdiff
2018-08-18
Berk Hess
Add check for pull group PBC to grompp
tree
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commitdiff
2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
tree
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commitdiff
2018-08-18
Roland Schulz
readability-implicit-bool-conversion 1/2
tree
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commitdiff
2018-08-18
Roland Schulz
clang-tidy modernize
tree
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commitdiff
2018-08-18
Roland Schulz
clang-tidy: google tests applicable
tree
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commitdiff
2018-08-18
Roland Schulz
Enable clang tidy/warnings for tests
tree
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commitdiff
2018-08-17
Berk Hess
Make pull pbc atom use LocalAtomSet
tree
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commitdiff
2018-08-15
Szilárd Páll
Improve GPU detection sanity check error message
tree
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commitdiff
2018-08-14
Roland Schulz
Fix int/bool bugs
tree
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commitdiff
2018-08-14
Joe Jordan
Add chainsep and merge tests for pdb2gmx
tree
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commitdiff
2018-08-14
Mark Abraham
Fix enforced rotation energy output
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commitdiff
2018-08-14
Erik Lindahl
Fix SIMD anyTrue bug, and add better unit test
tree
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commitdiff
2018-08-14
Roland Schulz
Remove BasicVector.as_vec
tree
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commitdiff
2018-08-13
Roland Schulz
Remove code duplication in trajana/modules/trajectory
tree
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commitdiff
2018-08-13
Roland Schulz
Remove cppcheck
tree
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commitdiff
2018-08-13
Roland Schulz
Fix MSD
tree
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commitdiff
2018-08-12
Roland Schulz
3/3 of old-style casting
tree
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commitdiff
2018-08-12
Roland Schulz
Add _real user defined literal
tree
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commitdiff
2018-08-11
Roland Schulz
Enable clang-tidy for headers
tree
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commitdiff
2018-08-10
Roland Schulz
Avoid using global variables in programs
tree
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commitdiff
2018-08-09
Christian Blau
Remove Debug Helpers from Essential Dynamics code.
tree
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commitdiff
2018-08-08
Christian Blau
Local atom sets in rotational pulling.
tree
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commitdiff
2018-08-08
Roland Schulz
2/3 of old-style casting
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commitdiff
2018-08-08
Christian Blau
Essential dynamics functions use const-ref for input...
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commitdiff
2018-08-08
Christian Blau
Split essential dynamics eigenvector reading.
tree
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commitdiff
2018-08-08
Christian Blau
Make essential dynamics a C++ type.
tree
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commitdiff
2018-08-08
Roland Schulz
Fix part of old-style casting
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commitdiff
2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
tree
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commitdiff
2018-08-07
Christian Blau
Local atom sets in compEL / ion swapping code.
tree
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commitdiff
2018-08-07
Roland Schulz
Fix clang-tidy MPI warnings
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commitdiff
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