biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Use shiftForces in ForceOuputs
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdtypes
/
forcerec.h
2019-08-20
Berk Hess
Use shiftForces in ForceOuputs
blob
|
commitdiff
|
raw
2019-08-01
Berk Hess
Remove a pointer in t_forcerec
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Paul Bauer
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-07-28
Berk Hess
Removed generalized reaction-field
blob
|
commitdiff
|
raw
|
diff to current
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-04-30
Berk Hess
Add con/destructor for t_forcetable
blob
|
commitdiff
|
raw
|
diff to current
2019-04-30
Berk Hess
Convert DispersionCorrection to a class
blob
|
commitdiff
|
raw
|
diff to current
2019-04-18
Berk Hess
Remove charge groups from domdec and localtop
blob
|
commitdiff
|
raw
|
diff to current
2019-04-17
Berk Hess
Remove group scheme search code
blob
|
commitdiff
|
raw
|
diff to current
2019-04-16
Szilárd Páll
Remove "coarse load balancing vars" from forcerec
blob
|
commitdiff
|
raw
|
diff to current
2019-03-21
Szilárd Páll
Reorder PBC setup in do_force_lowlevel
blob
|
commitdiff
|
raw
|
diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-02-28
Berk Hess
Use unique_ptr in nonbonded_verlet_t
blob
|
commitdiff
|
raw
|
diff to current
2019-02-27
Berk Hess
Use new/delete for t_forcerec
blob
|
commitdiff
|
raw
|
diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-01-23
Roland Schulz
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-01-07
Mark Abraham
Finish removing group-scheme all-vs-all support
blob
|
commitdiff
|
raw
|
diff to current
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
blob
|
commitdiff
|
raw
|
diff to current
2018-12-18
Szilárd Páll
Merge release-2019 branch into master
blob
|
commitdiff
|
raw
|
diff to current
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-11-28
Mark Abraham
Introduce GpuBonded
blob
|
commitdiff
|
raw
|
diff to current
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-10-23
Berk Hess
Add missing constraint term to deltaH
blob
|
commitdiff
|
raw
|
diff to current
2018-10-12
Berk Hess
Implement assigning bondeds to the GPU
blob
|
commitdiff
|
raw
|
diff to current
2018-10-08
Mark Abraham
Implement PaddedVector
blob
|
commitdiff
|
raw
|
diff to current
2018-09-12
Roland Schulz
Remove cpluscplus ifdefs
blob
|
commitdiff
|
raw
|
diff to current
2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
blob
|
commitdiff
|
raw
|
diff to current
2018-08-29
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-29
Berk Hess
Refactor wall potential calculation
blob
|
commitdiff
|
raw
|
diff to current
2018-08-24
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-11
Roland Schulz
Enable clang-tidy for headers
blob
|
commitdiff
|
raw
|
diff to current
2018-08-06
Roland Schulz
Change gmx_bool from int to bool
blob
|
commitdiff
|
raw
|
diff to current
2018-07-04
Roland Schulz
Merge release-2018 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-07-02
Mark Abraham
Remove some pieces from forcerec.h
blob
|
commitdiff
|
raw
|
diff to current
2018-05-24
Mark Abraham
Remove bDomDec from t_forcerec
blob
|
commitdiff
|
raw
|
diff to current
2018-05-24
Mark Abraham
Move responsibility for bonded threading decomposition
blob
|
commitdiff
|
raw
|
diff to current
2018-05-03
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-04-13
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-03-28
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-03-06
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
blob
|
commitdiff
|
raw
|
diff to current
2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-16
Mark Abraham
Merge branch release-2018 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-09
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
blob
|
commitdiff
|
raw
|
diff to current
2018-01-23
Mark Abraham
Remove support for implicit solvation
blob
|
commitdiff
|
raw
|
diff to current
2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-11-17
Mark Abraham
Improve handling of PME GPU force buffer
blob
|
commitdiff
|
raw
|
diff to current
2017-11-02
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-10-21
Berk Hess
Merge "Merge branch release-2016"
blob
|
commitdiff
|
raw
|
diff to current
2017-10-21
Aleksei Iupinov
Add calls to the PME GPU stages
blob
|
commitdiff
|
raw
|
diff to current
2017-10-20
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-10-16
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-10-12
Berk Hess
Simplify virial handling
blob
|
commitdiff
|
raw
|
diff to current
2017-09-17
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-09-15
Berk Hess
Remove nb-parameters from t_forcerec
blob
|
commitdiff
|
raw
|
diff to current
2017-09-12
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-09-12
Szilárd Páll
Merge branch 'release-2016'
blob
|
commitdiff
|
raw
|
diff to current
2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-08-22
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-08-06
Mark Abraham
Decouple task assignment from task execution
blob
|
commitdiff
|
raw
|
diff to current
2017-06-29
Teemu Murtola
Generalize IForceProvider
blob
|
commitdiff
|
raw
|
diff to current
2017-06-28
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-06-27
Roland Schulz
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-05-09
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-03-31
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-03-14
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-03-04
Teemu Murtola
Split md module facets to different interfaces
blob
|
commitdiff
|
raw
|
diff to current
2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-02-07
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-02-03
Mark Abraham
Remove typedef struct in some mdtypes files
blob
|
commitdiff
|
raw
|
diff to current
2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-14
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-20
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-12
Teemu Murtola
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-07
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-11-16
Mark Abraham
Created paddedvector.h
blob
|
commitdiff
|
raw
|
diff to current
2016-10-31
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-10-31
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-10-09
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-10-07
David van der Spoel
Modularize electric field handling
blob
|
commitdiff
|
raw
|
diff to current
2016-10-07
Berk Hess
Changed fr->f_novirsum to PaddedRVecVector
blob
|
commitdiff
|
raw
|
diff to current
2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-05
David van der Spoel
Merge "Merge branch release-2016"
blob
|
commitdiff
|
raw
|
diff to current
next