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Remove unnecessary GPU checking code
2017-07-24 Mark AbrahamRemove unnecessary GPU checking code
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2017-07-20 Mark AbrahamCleaned up bUseGpu in runner
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2017-07-20 Peter KassonRework and rename gmx_select_gpu_ids
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2017-07-20 Mark AbrahamStop duplicate printing of detected GPUs
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2017-07-20 Mark AbrahamFix use of GMX_SIMD in own-fftw build
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2017-07-18 Mark AbrahamConverted some const pointers into const references...
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2017-07-18 Mark AbrahamEliminated pick_nbnxn_resources
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2017-07-13 Mark AbrahamMore updates to testing matrix
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2017-07-10 Carsten KutznerAdded missing .mdp file documentation for the enforced...
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2017-06-09 Carsten KutznerMoved essential dynamics initialization call into do_md()
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2017-06-09 Berk HessReplace iso by instead of
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2017-06-09 Carsten KutznerAdopt and document implementation policy for MD modules
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2017-06-08 Berk HessFix COM pull force with SD
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2017-06-07 Berk HessAvoid grompp charge warning with rounding
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2017-06-05 Szilárd PállAdd CUDA 8.0 + SIMD pre-submit test
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2017-06-04 Berk HessFix checkpoint reading without energy history
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2017-05-30 Mark AbrahamFix NVML error messages
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2017-05-29 Jiri KrausUpdate FindNVML to fix #2061
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2017-05-27 Berk HessMade duplicate atoms in bondeds an error
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2017-05-23 Erik LindahlUpdated cool quotes
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2017-05-23 Berk HessAdd conserved quantity for Berendsen P-couple
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2017-05-23 Szilárd PállAdd basic doxygen for the Verlet nonbonded module
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2017-05-23 Berk HessAdd conserved q. for PR and Berendsen T-couple
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2017-05-23 Berk HessMake DD setup obey PME restrictions
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2017-05-22 Berk HessIntroduce ObservablesHistory container
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2016-09-07 Mark AbrahamFix LYN charges in amber03
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2016-09-07 Mark AbrahamFix amber03 HIP charges
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2015-07-05 Teemu MurtolaImprove gmx help -export Sphinx rebuild behavior
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2014-01-08 Peter KassonCheckpointing fix for Native Client
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2013-12-29 Peter KassonPatch for Native Client builds.
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2013-02-28 Peter KassonDeclaration-definition consistency nbxn_cuda_wait_gpu.
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The ultimate molecular dynamics simulation package