biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
Hold unique_ptr to gmx_ewald_tab_t in forcerec
2021-02-22
Joe Jordan
Hold unique_ptr to gmx_ewald_tab_t in forcerec
commit
|
commitdiff
|
tree
2021-02-22
Joe Jordan
Hold unique_ptr for interaction_const in forcerec
commit
|
commitdiff
|
tree
2021-02-20
Joe Jordan
Remove unsed structs from nblist and use vector in...
commit
|
commitdiff
|
tree
2021-02-19
Joe Jordan
Revome unused code from nsgrid
commit
|
commitdiff
|
tree
2021-02-19
Joe Jordan
Use const refs in init_nb_verlet
commit
|
commitdiff
|
tree
2021-02-19
Joe Jordan
Rename and add doxygen to reaction field params in...
commit
|
commitdiff
|
tree
2021-02-18
Joe Jordan
Use unique_ptr for forcerec in runner
commit
|
commitdiff
|
tree
2021-02-16
Joe Jordan
Use const ref to inputrec in do_force
commit
|
commitdiff
|
tree
2021-02-11
Joe Jordan
Use unique_ptr for tables
commit
|
commitdiff
|
tree
2021-02-05
Joe Jordan
Use raw strings instead of format in docker build script
commit
|
commitdiff
|
tree
2021-01-25
Joe Jordan
Check availability of compile flags at cmake time
commit
|
commitdiff
|
tree
2020-11-17
Joe Jordan
Remove some extraneous compiler flags from nblib
commit
|
commitdiff
|
tree
2020-11-09
Joe Jordan
Add backend for nblib listed forces API
commit
|
commitdiff
|
tree
2020-11-04
Joe Jordan
NBLIB listed forces API update
commit
|
commitdiff
|
tree
2020-10-30
Joe Jordan
Introduce nblib versioning
commit
|
commitdiff
|
tree
2020-10-13
Joe Jordan
Fix segfault in pull reading
commit
|
commitdiff
|
tree
2020-10-02
Joe Jordan
Add tests for setStringEntry
commit
|
commitdiff
|
tree
2020-09-30
Joe Jordan
Add nblib sample script
commit
|
commitdiff
|
tree
2020-09-29
Joe Jordan
Add nblib backend: Part 2 of 2
commit
|
commitdiff
|
tree
2020-09-28
Joe Jordan
Add nblib backend: Part 1 of 2
commit
|
commitdiff
|
tree
2020-09-28
Joe Jordan
Add initial nblib public API
commit
|
commitdiff
|
tree
2020-09-10
Joe Jordan
Replace GMX_ASSERT with assert in vectypes.h
commit
|
commitdiff
|
tree
2020-07-03
Joe Jordan
Use vector in atoms2md instead of pointer
commit
|
commitdiff
|
tree
2020-06-23
Joe Jordan
Remove some headers from install targets
commit
|
commitdiff
|
tree