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Make orires work with DD particle reordering
[alexxy/gromacs.git]
/
src
/
gromacs
/
listed_forces
/
listed_forces.cpp
2021-08-30
Berk Hess
Make orires work with DD particle reordering
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-27
Artem Zhmurov
Rename GpuBonded into ListedForcesGpu
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2021-05-26
ejjordan
Remove foreign energy groups from gmx_enerdata_t
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-05-06
Paul Bauer
Remove UB in ArrayRef from array
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2021-05-05
Berk Hess
Convert t_oriresdata to C++
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2021-05-03
ejjordan
Remove mdatoms from pairs in listed forces
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2021-04-14
Paul Bauer
Modernize wallcycle counting
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2021-04-13
Joe Jordan
Use array for term and foreign_term in gmx_enerdata_t
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2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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2021-03-19
Joe Jordan
Use more arrayref in listed forces sigatures
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2021-03-19
Joe Jordan
Make non bonded energy terms enum class
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-19
ejjordan
Pass restraint data structures to bonded functions
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2021-02-15
Pascal Merz
Make the restraint history const during force calculation
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-12
Berk Hess
Avoid NMR restraints calls for MTS levels > 0
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-05
Berk Hess
Copy position restraint parameters with MTS
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-10
Berk Hess
Add angles to ListedForces selections
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2020-09-02
Berk Hess
Move listed and wall forces out of do_force_lowlevel()
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2020-09-02
Berk Hess
Enable splitting of listed interaction calculation
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-07-31
Berk Hess
Move foreign potential energy accumulation
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2020-07-06
Berk Hess
Move foreign potential energy accumulation
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2020-06-24
Berk Hess
Add class ListedForces
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-28
ejjordan
Address review comments
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2020-04-28
ejjordan
Simplify calc_listed signature
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2020-03-18
Berk Hess
Remove use of graph in do_force()
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2020-03-18
Berk Hess
Use WholeMoleculeTransform for orires and epsilon-surface
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2020-03-05
Berk Hess
Add InteractionDefinitions
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-03-03
Magnus Lundborg
Store dHdL for all neighbor lambdas
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-23
ejjordan
Use more forward declarations to removed header depende...
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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2020-01-09
Mark Abraham
Split lines with many copyright years
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-22
Berk Hess
Move nr_nonperturbed out of t_ilist
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-22
Artem Zhmurov
Rename havePositionRestraints(...) to haveRestraints...
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-10
Szilárd Páll
Eliminate raw force flags in do_force_lowlevel()
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2019-09-02
Berk Hess
Only use fshift when needed
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-22
Berk Hess
Fix perturbed bonded bug
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2019-08-20
Berk Hess
Use shiftForces in ForceOuputs
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2019-08-09
Berk Hess
Move bonded function table into bonded.cpp
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2019-08-09
Berk Hess
SIMD acceleration for F_FOURDIHS and F_PIDIHS
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-05-14
Berk Hess
Make all do_force_lowlevel() input const
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2019-05-03
Berk Hess
Convert manage_threading_t and gmx_enerdata_t to C++
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2019-04-16
Szilárd Páll
Move functions operating on enerdata out of force.cpp
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2019-03-13
Szilárd Páll
Start modularizing force workload setup
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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biod.pnpi.spb.ru / alexxy / gromacs.git / history