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Change PaddedVector to PaddedHostVector for force CPU buffer
2019-09-12 Artem ZhmurovChange PaddedVector to PaddedHostVector for force CPU...
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2019-09-11 Artem ZhmurovFix for the post-submit failure
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2019-09-11 Artem ZhmurovDecouple GPU force buffer management from buffer ops...
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2019-09-11 Artem ZhmurovDecouple coordinates buffer management from buffer...
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2019-09-11 Artem ZhmurovReorganize PME code:
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2019-09-10 Artem ZhmurovMaking DeviceBuffer availible in non-GPU builds
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2019-09-03 Artem ZhmurovAdd Parrinello-Rahman pressure coupling to CUDA Leap...
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2019-08-26 Artem ZhmurovAdd temperature coupling to CUDA Leap-Frog integrator
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2019-08-25 Artem ZhmurovMake use of recent changes to prepareKernelArguments...
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2019-08-25 Artem ZhmurovMisceleneous improvements to the Leap Frog tests
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2019-08-14 Artem ZhmurovBugFix: Zeroing the padded area of coordinates vectors...
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2019-08-13 Artem ZhmurovMake use of reference data in integrator tests
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2019-08-13 Artem ZhmurovMake use of reference data in SETTLE tests
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2019-08-09 Artem ZhmurovPrepare Update and Constraints for Domain Decomposition
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2019-08-09 Artem ZhmurovRefactoring of the SETTLE tests
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2019-08-08 Artem ZhmurovRefactor Leap-Frog tests and connect them to CPU version
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2019-08-06 Artem ZhmurovFix for cmake lists in mdlib tests
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2019-08-06 Artem ZhmurovRemove PImpl scaffolding from CUDA version of Leap...
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2019-07-31 Artem ZhmurovChange the file structure in constraints tests
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2019-07-31 Artem ZhmurovIntroduce function that checks if the computations...
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2019-07-26 Artem ZhmurovRemove PImpl scaffolding from CUDA version of SETTLE
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2019-07-05 Artem ZhmurovRemove PImpl scaffolding from CUDA version of LINCS
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2019-07-04 Artem ZhmurovUse reallocateDeviceBuffer(...) in CUDA version of...
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2019-07-03 Artem ZhmurovEarly exit for CUDA versions of SETTLE and LINCS
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2019-07-03 Artem ZhmurovMemory management fixes in CUDA version of LINCS
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2019-07-03 Artem ZhmurovCombine CUDA Leap-Frog, LINCS and SETTLE. II.
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2019-06-18 Artem ZhmurovCombine CUDA Leap-Frog, LINCS and SETTLE. I.
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2019-06-18 Artem ZhmurovBug fix: Constraints tests are not instantiated with...
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2019-05-24 Artem ZhmurovClarify which of the main energy terms are printed.
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2019-05-24 Artem ZhmurovClarify the EnergyOutput III
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2019-05-24 Artem ZhmurovClarify the EnergyOutput II
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2019-05-13 Artem ZhmurovClarify the EnergyOutput I
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2019-05-12 Artem ZhmurovCUDA version of Leap-Frog integrator with basic tests
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2019-05-06 Artem ZhmurovFixing minor memory issues in MDLib
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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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2019-04-25 Artem ZhmurovImprovements for energy output test.
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2019-04-16 Artem ZhmurovFix for the memory access error in constraints test.
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2019-04-04 Artem ZhmurovRemove isPressureCouplingStep(...)
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2019-04-04 Artem ZhmurovRemove isTemperatureCouplingStep(...)
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2019-03-28 Artem ZhmurovGPU naming conventions
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2019-03-25 Artem ZhmurovRemove unused headers
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2019-03-13 Artem ZhmurovBasic routines to handle periodic boundary.
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2019-02-21 Artem ZhmurovTest for LINCS and SHAKE constraints.
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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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2018-12-27 Artem ZhmurovThe tests for LINCS and SHAKE constraints.
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Local GROMACS mirror with custom stuff