biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Allow using COM of previous step as PBC reference
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
readpull.cpp
2018-10-03
Magnus Lundborg
Allow using COM of previous step as PBC reference
blob
|
commitdiff
|
raw
2018-10-01
Mark Abraham
Fix gcc-8 warnings about strings
blob
|
commitdiff
|
raw
|
diff to current
2018-09-25
Magnus Lundborg
Add margin as input to pullGroupObeysPbcRestrictions
blob
|
commitdiff
|
raw
|
diff to current
2018-08-29
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-24
Berk Hess
Merge "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
Berk Hess
Add check for pull group PBC to grompp
blob
|
commitdiff
|
raw
|
diff to current
2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
blob
|
commitdiff
|
raw
|
diff to current
2018-08-18
Roland Schulz
clang-tidy modernize
blob
|
commitdiff
|
raw
|
diff to current
2018-07-18
Berk Hess
Apply local atom sets in pull code
blob
|
commitdiff
|
raw
|
diff to current
2018-07-04
Roland Schulz
Merge release-2018 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-06-07
Paul Bauer
Change use of t_inpfile to std::vector
blob
|
commitdiff
|
raw
|
diff to current
2018-06-07
Paul Bauer
Remove macros in input file reading
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
2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
blob
|
commitdiff
|
raw
|
diff to current
2018-03-29
Berk Hess
Move file opening out of init_pull()
blob
|
commitdiff
|
raw
|
diff to current
2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-08
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
2017-11-19
Viveca Lindahl
Add AWH biasing module + tests
blob
|
commitdiff
|
raw
|
diff to current
2017-11-17
Mark Abraham
Use HostAllocationPolicy for chargeA
blob
|
commitdiff
|
raw
|
diff to current
2017-11-09
Mark Abraham
Prepared t_mdatoms for using vector
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
2017-10-06
Berk Hess
Add SIMD intrinsics version of simple update
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
2017-06-28
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
2017-02-15
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
2017-01-14
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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
Gerrit Code Review
Merge "Merge branch release-2016"
blob
|
commitdiff
|
raw
|
diff to current
2016-12-20
Mark Abraham
Sanitize some include headers
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
2016-09-16
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
2016-09-06
Berk Hess
Consolidate MD algorithm atom setup
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
2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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
2016-07-03
Berk Hess
Add grompp check for pull group
blob
|
commitdiff
|
raw
|
diff to current
2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-22
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-05-05
Teemu Murtola
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-04-27
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-04-14
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-03-31
Berk Hess
Fix includes in readpull.cpp
blob
|
commitdiff
|
raw
|
diff to current
2016-03-31
Berk Hess
Add option for external pull potential
blob
|
commitdiff
|
raw
|
diff to current
2016-03-18
Viveca Lindahl
Added pull coordinate geometry angle-axis
blob
|
commitdiff
|
raw
|
diff to current
2016-03-18
Viveca Lindahl
Added pull coordinate geometry dihedral (angle)
blob
|
commitdiff
|
raw
|
diff to current
2016-03-18
Viveca Lindahl
Added pull coordinate geometry angle.
blob
|
commitdiff
|
raw
|
diff to current
2016-02-19
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-02-16
Viveca Lindahl
Replaced pull-print-com1,2 mdp option with pull-print...
blob
|
commitdiff
|
raw
|
diff to current
2016-02-06
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-01-28
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-01-27
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-01-25
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-01-20
Szilárd Páll
Merge remote-tracking branch 'origin/release-5-1' into...
blob
|
commitdiff
|
raw
|
diff to current
2016-01-08
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2015-12-29
Teemu Murtola
Reduce inputrec.h dependencies
blob
|
commitdiff
|
raw
|
diff to current
2015-12-28
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2015-12-20
Berk Hess
Merge release-5-1 into master
blob
|
commitdiff
|
raw
|
diff to current
2015-12-15
Teemu Murtola
Move readinp.* and warninp.* to fileio/
blob
|
commitdiff
|
raw
|
diff to current
2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
blob
|
commitdiff
|
raw
|
diff to current
2015-12-07
Berk Hess
Moved pull params to mdtypes/pull-params.h
blob
|
commitdiff
|
raw
|
diff to current
2015-12-01
Berk Hess
Pull group count for coords stored in tpr
blob
|
commitdiff
|
raw
|
diff to current
next