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Fused GPU bonded kernels
2019-06-28
Magnus Lundborg
Fused GPU bonded kernels
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2019-06-18
Artem Zhmurov
Combine CUDA Leap-Frog, LINCS and SETTLE. I.
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2019-05-24
Artem Zhmurov
Clarify which of the main energy terms are printed.
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2019-05-13
Paul Bauer
Fix math formatting in reference manual
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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
Mark Abraham
Improve how mdrun -noappend names output files
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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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2019-04-04
Carsten Kutzner
Early exit from mdrun if group scheme is detected in...
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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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2019-03-13
Artem Zhmurov
Basic routines to handle periodic boundary.
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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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