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Combine CUDA Leap-Frog, LINCS and SETTLE. I.
2019-06-18 Artem ZhmurovCombine CUDA Leap-Frog, LINCS and SETTLE. I.
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2019-05-24 Artem ZhmurovClarify which of the main energy terms are printed.
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2019-05-13 Paul BauerFix math formatting in reference manual
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2019-05-12 Artem ZhmurovCUDA version of Leap-Frog integrator with basic tests
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2019-05-06 Mark AbrahamImprove how mdrun -noappend names output files
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2019-05-02 Artem ZhmurovUse test with parameters for EnergyOutput
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2019-04-30 Artem ZhmurovCUDA version of SETTLE algorithm with basic tests
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2019-04-29 Artem ZhmurovFix for the CUDA version of LINCS
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2019-04-28 Artem ZhmurovCUDA version of LINCS constraints.
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2019-04-04 Carsten KutznerEarly exit from mdrun if group scheme is detected in...
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2019-04-04 Artem ZhmurovRemove isPressureCouplingStep(...)
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2019-04-04 Artem ZhmurovRemove isTemperatureCouplingStep(...)
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2019-03-13 Artem ZhmurovBasic routines to handle periodic boundary.
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2019-02-19 Artem ZhmurovPBC setup for GPU is moved into pbcutils.
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2019-02-13 Artem ZhmurovIgnore Visual Studio Code metadata.
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The ultimate molecular dynamics simulation package