biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Getting rid of use_GPU(nbv) function
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
sim_util.h
2019-03-27
Prashanth Kanduri
Getting rid of use_GPU(nbv) function
blob
|
commitdiff
|
raw
2019-03-27
Prashanth Kanduri
Move stat function declarations to a new stat.h
blob
|
commitdiff
|
raw
|
diff to current
2019-03-19
Prashanth Kanduri
Move initialize_lambdas(...) to state
blob
|
commitdiff
|
raw
|
diff to current
2019-03-18
Prashanth Kanduri
Moving do_constraints_first(...) to constr.h
blob
|
commitdiff
|
raw
|
diff to current
2019-03-07
Mark Abraham
Eliminate mdlib/mdrun.h
blob
|
commitdiff
|
raw
|
diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-02-27
Berk Hess
Collect dispersion correction code
blob
|
commitdiff
|
raw
|
diff to current
2019-02-26
Prashanth Kanduri
Moving finish_run(...) to runner.cpp
blob
|
commitdiff
|
raw
|
diff to current
2019-02-25
Prashanth Kanduri
Moving do_pbc_mtop(...) functions to pbcutils from...
blob
|
commitdiff
|
raw
|
diff to current
2019-02-25
Mark Abraham
Move code out of sim_util.cpp
blob
|
commitdiff
|
raw
|
diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-02-13
Mark Abraham
Make EnergyOutput wrapper class
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
2019-01-22
Mark Abraham
Remove init_md and improve init_em
blob
|
commitdiff
|
raw
|
diff to current
2019-01-21
Mark Abraham
Clean up initialize_lambdas
blob
|
commitdiff
|
raw
|
diff to current
2019-01-21
Kevin Boyd
Convert gmx_update_t to C++
blob
|
commitdiff
|
raw
|
diff to current
2019-01-06
Kevin Boyd
Convert t_vcm to C++, plugging a memory leak
blob
|
commitdiff
|
raw
|
diff to current
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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
2018-09-25
Pascal Merz
Remove unnecessary functionality from do_rerun
blob
|
commitdiff
|
raw
|
diff to current
2018-09-11
Pascal Merz
Added trivial const qualifiers
blob
|
commitdiff
|
raw
|
diff to current
2018-09-11
Pascal Merz
Initialize total_vir and pres in init_md
blob
|
commitdiff
|
raw
|
diff to current
2018-08-29
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-24
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-18
Roland Schulz
readability-implicit-bool-conversion 1/2
blob
|
commitdiff
|
raw
|
diff to current
2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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
2018-06-05
Mark Abraham
Make proper BoxDeformation class
blob
|
commitdiff
|
raw
|
diff to current
2018-06-05
Mark Abraham
Make Constraints a proper class
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
2018-04-13
Mark Abraham
Clean up constraints code
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
2018-03-13
Mark Abraham
Add more const to uses of t_commrec and t_inputrec
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
2018-02-13
Mark Abraham
Separate multisim from commrec
blob
|
commitdiff
|
raw
|
diff to current
2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-01-09
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
2017-11-21
Mark Abraham
Use much less PaddedRVecVector and more ArrayRef of...
blob
|
commitdiff
|
raw
|
diff to current
2017-11-02
Mark Abraham
Merge branch release-2016
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
2017-10-09
Aleksei Iupinov
PME GPU/CUDA data framework.
blob
|
commitdiff
|
raw
|
diff to current
2017-09-25
Berk Hess
Set global state on master rank only
blob
|
commitdiff
|
raw
|
diff to current
2017-09-17
Mark Abraham
Merge branch release-2016
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
2017-09-03
Berk Hess
Put mdrun options in structs
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
2017-06-30
M. Eric Irrgang
Mark unmodified input parameter as const.
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
2017-04-03
Mark Abraham
Remove do_pbc_first
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
Remove MDModules use from mdlib
blob
|
commitdiff
|
raw
|
diff to current
2017-02-27
Teemu Murtola
Remove module references from t_inputrec
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
2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-21
Mark Abraham
Removed init_state
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
2016-10-31
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
2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-29
Berk Hess
Use std::vector in t_state
blob
|
commitdiff
|
raw
|
diff to current
2016-09-16
Berk Hess
Merge branch 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
2016-09-04
Berk Hess
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-08-24
Berk Hess
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-08-15
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-23
Roland Schulz
Merge release-2016 into master
blob
|
commitdiff
|
raw
|
diff to current
2016-07-12
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
next
biod.pnpi.spb.ru / alexxy / gromacs.git / history