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Make the restraint history const during force calculation
2021-02-15 Pascal MerzMake the restraint history const during force calculation
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2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes
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2021-02-08 Andrey AlekseenkoDisable FPE for SYCL builds
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2021-02-05 Mark AbrahamRemove VMX SIMD
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2021-02-02 Andrey AlekseenkoRemove deprecated env. vars GMX_OCL_NB_ANA_EWALD etc
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2021-02-02 Szilárd PállImprove DLB recommendation
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2021-02-02 Artem ZhmurovUse make_unique instead of reset when private implementation...
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2021-01-28 Paul BauerFix NB-LIB copyright
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2021-01-27 Andrey AlekseenkoSYCL: fix typo in a test and clean-up non-standard...
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2021-01-25 Andrey AlekseenkoUpdate self-documentation in admin/git-pre-commit
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2021-01-11 Mark AbrahamRemove mdrun-only build configuration
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2021-01-09 Andrey Alekseenkodensityfit: Fix typo in use of iterators
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2021-01-07 Paul BauerWrite copyright output files as utf8
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2021-01-06 Pascal MerzRemove misleading const qualifier for inputrec in expanded...
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2021-01-06 Pascal MerzFix lambda printing const qualifier
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2020-12-17 Mark AbrahamUpdate CI image to OneAPI 2021.1.1, add ICC tests.
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2020-12-11 Andrey AlekseenkoUpdate instructions in containers.rst
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2020-11-11 Szilárd PállFix gcc 9 "warning: ‘unused’ attribute ignored"
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2020-11-10 Mark AbrahamAdd move operations to GpuHaloExchange
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2020-11-06 Andrey AlekseenkoSuggest environment variable to limit visible SYCL...
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2020-11-05 Andrey AlekseenkoSlightly refactor AmdZen1 detection code
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2020-11-02 Andrey AlekseenkoRework handling of PATH-like variables in GMXRC.bash/zsh
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2020-10-29 Andrey AlekseenkoNarrow-down Intel-specific #ifdef's
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2020-10-28 Andrey AlekseenkoMake dispatchTemplatedFunction compatible with MSVC
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2020-10-26 M. Eric IrrgangTell gmxapi to look for MPI, when appropriate.
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2020-10-24 Paul BauerDisallow OpenMP on Windows in CI
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2020-10-24 Szilárd PállExclude CUDA 10.2 as well from C++17 compilation
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2020-10-22 Artem ZhmurovUse and properly initialize PRNG when hardware random...
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2020-10-21 Andrey AlekseenkoRevert "densityfit: Fix inconsistent use of iterators"
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2020-10-21 Andrey Alekseenkodensityfit: Fix inconsistent use of iterators
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2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos
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2020-10-14 Andrey AlekseenkoAdd static constexpr members to naming style guide
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2020-10-08 Andrey AlekseenkoNBlibTest/IntegratorWorks: Initialize x's and v's
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2020-10-06 Paul BauerSet proper deviceVendor with SYCL
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2020-10-02 Joe JordanAdd tests for setStringEntry
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2020-09-30 Andrey AlekseenkoSquash SYCL DeviceContext and DeviceStream
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2020-09-30 Andrey AlekseenkoFix Doxygen formula generation
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