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Add gapsys softcore function.
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxlib
/
nonbonded
/
tests
/
nb_free_energy.cpp
2021-10-05
Sebastian Kehl
Add gapsys softcore function.
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2021-09-30
Berk Hess
Pad RVec force buffer in ThreadForceBuffer
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2021-09-29
Magnus Lundborg
SIMD support for nonbonded free-energy kernels
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2021-09-27
Magnus Lundborg
[RFC] Change nonbonded-fep-test reference data to analy...
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2021-09-20
Berk Hess
Add Ewald coefficients to nonbonded fep test
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-03
Mark Abraham
Update bundled GoogleTest to current HEAD
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-25
Joe Jordan
Only Pass needed data to nonbonded param setup in forcerec
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2021-05-10
Joe Jordan
Fix harmless bug in nonbonded FEP tests
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-14
Joe Jordan
Pass forcerec arguments instead of forcerec to gmx_nb_f...
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2021-04-12
Sebastian Kehl
Add unit test for the nonbonded fep kernel.
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biod.pnpi.spb.ru / alexxy / gromacs.git / history