biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
Refactor preprocessing atom types.
2019-03-08
Paul Bauer
Refactor preprocessing atom types.
commit
|
commitdiff
|
tree
2019-03-07
Mark Abraham
New tests for pdb2gmx and editconf
commit
|
commitdiff
|
tree
2019-02-27
Mark Abraham
Keep niche CMake variables as advanced
commit
|
commitdiff
|
tree
2019-02-25
Mark Abraham
Move code out of sim_util.cpp
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
Fix memory leaks in editconf
commit
|
commitdiff
|
tree
2019-02-14
Mark Abraham
Fix use of selections referring to index groups
commit
|
commitdiff
|
tree
2019-02-14
Mark Abraham
Revert changes to implementation of insert-molecules...
commit
|
commitdiff
|
tree
2019-02-13
Paul Bauer
Refactor rtp renaming
commit
|
commitdiff
|
tree
2019-02-13
Mark Abraham
Make EnergyOutput wrapper class
commit
|
commitdiff
|
tree
2019-02-08
Mark Abraham
Remove copy_energy from energy-writing steps
commit
|
commitdiff
|
tree
2019-02-07
Roland Schulz
Add ssize and remove static_casts
commit
|
commitdiff
|
tree
2019-01-25
Mark Abraham
Unify regex implementation
commit
|
commitdiff
|
tree
2019-01-24
Christian Blau
Remove extra semicolons causing clang warnings.
commit
|
commitdiff
|
tree
2019-01-18
Kevin Boyd
Add tests for gmx mindist
commit
|
commitdiff
|
tree
2018-12-20
David van der Spoel
Removed t_topology from gmx msd
commit
|
commitdiff
|
tree
2018-12-12
Szilárd Páll
Improve DLB report/note
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
Use more const references in topology code
commit
|
commitdiff
|
tree
2018-12-06
boristim
Updates to do_dssp
commit
|
commitdiff
|
tree
2018-10-03
Mark Abraham
Basic modernization of md5 handling
commit
|
commitdiff
|
tree
2018-08-30
Christian Blau
Convert essential dynamics C-structs to C++ pt1.
commit
|
commitdiff
|
tree
2018-08-20
Berk Hess
Make gmx_ga2la_t a proper class
commit
|
commitdiff
|
tree
2018-08-17
Berk Hess
Make pull pbc atom use LocalAtomSet
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Remove BasicVector.as_vec
commit
|
commitdiff
|
tree
2018-08-10
Kevin Boyd
Added physical validation document to the dev manual.
commit
|
commitdiff
|
tree
2018-08-09
Christian Blau
Remove Debug Helpers from Essential Dynamics code.
commit
|
commitdiff
|
tree
2018-08-08
Christian Blau
Essential dynamics functions use const-ref for input...
commit
|
commitdiff
|
tree
2018-08-08
Christian Blau
Split essential dynamics eigenvector reading.
commit
|
commitdiff
|
tree
2018-08-08
Christian Blau
Make essential dynamics a C++ type.
commit
|
commitdiff
|
tree