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Remove deprecated env. vars GMX_OCL_NB_ANA_EWALD etc
2021-02-02
Andrey Alekseenko
Remove deprecated env. vars GMX_OCL_NB_ANA_EWALD etc
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2021-02-02
Artem Zhmurov
Use make_unique instead of reset when private implementation...
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2021-01-28
Paul Bauer
Fix NB-LIB copyright
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2021-01-27
Andrey Alekseenko
SYCL: fix typo in a test and clean-up non-standard...
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2021-01-25
Andrey Alekseenko
Update self-documentation in admin/git-pre-commit
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2021-01-11
Mark Abraham
Remove mdrun-only build configuration
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2021-01-09
Andrey Alekseenko
densityfit: Fix typo in use of iterators
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2021-01-07
Paul Bauer
Write copyright output files as utf8
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2021-01-06
Pascal Merz
Remove misleading const qualifier for inputrec in expanded...
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2021-01-06
Pascal Merz
Fix lambda printing const qualifier
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2020-12-17
Mark Abraham
Update CI image to OneAPI 2021.1.1, add ICC tests.
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2020-12-11
Andrey Alekseenko
Update instructions in containers.rst
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2020-11-11
Szilárd Páll
Fix gcc 9 "warning: ‘unused’ attribute ignored"
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2020-11-10
Mark Abraham
Add move operations to GpuHaloExchange
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2020-11-06
Andrey Alekseenko
Suggest environment variable to limit visible SYCL...
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2020-11-05
Andrey Alekseenko
Slightly refactor AmdZen1 detection code
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2020-11-02
Andrey Alekseenko
Rework handling of PATH-like variables in GMXRC.bash/zsh
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2020-10-29
Andrey Alekseenko
Narrow-down Intel-specific #ifdef's
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2020-10-28
Andrey Alekseenko
Make dispatchTemplatedFunction compatible with MSVC
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2020-10-26
M. Eric Irrgang
Tell gmxapi to look for MPI, when appropriate.
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2020-10-24
Paul Bauer
Disallow OpenMP on Windows in CI
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2020-10-24
Szilárd Páll
Exclude CUDA 10.2 as well from C++17 compilation
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2020-10-22
Artem Zhmurov
Use and properly initialize PRNG when hardware random...
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2020-10-21
Andrey Alekseenko
Revert "densityfit: Fix inconsistent use of iterators"
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2020-10-21
Andrey Alekseenko
densityfit: Fix inconsistent use of iterators
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2020-10-19
Andrey Alekseenko
Fix random doxygen warnings and typos
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2020-10-14
Andrey Alekseenko
Add static constexpr members to naming style guide
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2020-10-08
Andrey Alekseenko
NBlibTest/IntegratorWorks: Initialize x's and v's
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2020-10-06
Paul Bauer
Set proper deviceVendor with SYCL
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2020-10-02
Joe Jordan
Add tests for setStringEntry
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2020-09-30
Andrey Alekseenko
Squash SYCL DeviceContext and DeviceStream
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2020-09-30
Andrey Alekseenko
Fix Doxygen formula generation
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