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Change PaddedVector to PaddedHostVector for force CPU buffer
2019-09-12
Artem Zhmurov
Change PaddedVector to PaddedHostVector for force CPU...
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2019-09-11
Artem Zhmurov
Fix for the post-submit failure
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2019-09-11
Artem Zhmurov
Decouple GPU force buffer management from buffer ops...
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2019-09-11
Artem Zhmurov
Decouple coordinates buffer management from buffer...
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2019-09-11
Artem Zhmurov
Reorganize PME code:
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2019-09-10
Artem Zhmurov
Making DeviceBuffer availible in non-GPU builds
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2019-09-03
Artem Zhmurov
Add Parrinello-Rahman pressure coupling to CUDA Leap...
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2019-08-26
Artem Zhmurov
Add temperature coupling to CUDA Leap-Frog integrator
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2019-08-25
Artem Zhmurov
Make use of recent changes to prepareKernelArguments...
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2019-08-25
Artem Zhmurov
Misceleneous improvements to the Leap Frog tests
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2019-08-14
Artem Zhmurov
BugFix: Zeroing the padded area of coordinates vectors...
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2019-08-13
Artem Zhmurov
Make use of reference data in integrator tests
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2019-08-13
Artem Zhmurov
Make use of reference data in SETTLE tests
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2019-08-09
Artem Zhmurov
Prepare Update and Constraints for Domain Decomposition
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2019-08-09
Artem Zhmurov
Refactoring of the SETTLE tests
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2019-08-08
Artem Zhmurov
Refactor Leap-Frog tests and connect them to CPU version
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2019-08-06
Artem Zhmurov
Fix for cmake lists in mdlib tests
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2019-08-06
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of Leap...
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2019-07-31
Artem Zhmurov
Change the file structure in constraints tests
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2019-07-31
Artem Zhmurov
Introduce function that checks if the computations...
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2019-07-26
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of SETTLE
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2019-07-05
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of LINCS
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2019-07-04
Artem Zhmurov
Use reallocateDeviceBuffer(...) in CUDA version of...
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2019-07-03
Artem Zhmurov
Early exit for CUDA versions of SETTLE and LINCS
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2019-07-03
Artem Zhmurov
Memory management fixes in CUDA version of LINCS
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2019-07-03
Artem Zhmurov
Combine CUDA Leap-Frog, LINCS and SETTLE. II.
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2019-06-18
Artem Zhmurov
Combine CUDA Leap-Frog, LINCS and SETTLE. I.
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2019-06-18
Artem Zhmurov
Bug fix: Constraints tests are not instantiated with...
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2019-05-24
Artem Zhmurov
Clarify which of the main energy terms are printed.
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2019-05-24
Artem Zhmurov
Clarify the EnergyOutput III
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2019-05-24
Artem Zhmurov
Clarify the EnergyOutput II
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2019-05-13
Artem Zhmurov
Clarify the EnergyOutput I
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2019-05-12
Artem Zhmurov
CUDA version of Leap-Frog integrator with basic tests
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2019-05-06
Artem Zhmurov
Fixing minor memory issues in MDLib
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2019-05-02
Artem Zhmurov
Use test with parameters for EnergyOutput
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2019-04-30
Artem Zhmurov
CUDA version of SETTLE algorithm with basic tests
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2019-04-29
Artem Zhmurov
Fix for the CUDA version of LINCS
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2019-04-28
Artem Zhmurov
CUDA version of LINCS constraints.
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2019-04-25
Artem Zhmurov
Improvements for energy output test.
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2019-04-16
Artem Zhmurov
Fix for the memory access error in constraints test.
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2019-04-04
Artem Zhmurov
Remove isPressureCouplingStep(...)
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2019-04-04
Artem Zhmurov
Remove isTemperatureCouplingStep(...)
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2019-03-28
Artem Zhmurov
GPU naming conventions
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2019-03-25
Artem Zhmurov
Remove unused headers
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2019-03-13
Artem Zhmurov
Basic routines to handle periodic boundary.
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2019-02-21
Artem Zhmurov
Test for LINCS and SHAKE constraints.
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2019-02-19
Artem Zhmurov
PBC setup for GPU is moved into pbcutils.
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2019-02-13
Artem Zhmurov
Ignore Visual Studio Code metadata.
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2018-12-27
Artem Zhmurov
The tests for LINCS and SHAKE constraints.
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