repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge 'origin/release-2019' into release-2020
2019-11-20
Paul Bauer
Merge 'orig
i
n/release-
2
019' into releas
e
-2020
commit
|
commitdiff
|
tree
2019-11-14
Paul B
a
u
e
r
Fix formatti
n
g er
r
or
commit
|
commitdiff
|
tree
2019-11-13
Paul
Bauer
Add
b
ui
l
d t
o
run clang-form
a
t
update on Jenki
n
s
commit
|
commitdiff
|
tree
2019-11-12
Paul Baue
r
I
n
dicate whi
c
h versions
a
re no longer supported
commit
|
commitdiff
|
tree
2019-11-07
P
a
ul Bauer
App
l
y
cla
n
g-for
m
at to source
tree
commit
|
commitdiff
|
tree
2019-11-04
Paul Ba
u
er
A
d
d
b
u
ild for cla
n
g
-format
commit
|
commitdiff
|
tree
2019-11-04
Paul B
a
u
e
r
Split up source code formatt
i
n
g
sc
r
i
p
ts
commit
|
commitdiff
|
tree
2019-11-01
Paul
B
auer
S
e
cond beta re
l
ease of
G
ROMACS
2
020
commit
|
commitdiff
|
tree
2019-11-01
Paul Bauer
Pr
e
pare for 2
0
20
be
t
a 2
commit
|
commitdiff
|
tree
2019-11-01
Paul Bauer
Ad
d
validation of tar
b
a
ll builds
commit
|
commitdiff
|
tree
2019-10-31
P
aul Baue
r
Use
t
ype of explicit size in
inmemor
y
serializer
commit
|
commitdiff
|
tree
2019-10-29
Pau
l
Bauer
Merge "Merge branch
'releas
e
-2019' into
m
aster"
commit
|
commitdiff
|
tree
2019-10-29
Paul
B
aue
r
Merge b
r
anch
'r
e
le
a
se-2019' i
n
to
m
aste
r
commit
|
commitdiff
|
tree
2019-10-18
Pau
l
Bauer
Us
e
c
lang-tidy-8
commit
|
commitdiff
|
tree
2019-10-15
Paul Bauer
Fix
b
ug in prepr
o
cessing
commit
|
commitdiff
|
tree
2019-10-11
Paul Bauer
A
dd hel
p
er to reuse
g
e
n
erated TPR fil
e
s in testi
n
g
commit
|
commitdiff
|
tree
2019-10-10
Pa
u
l
B
auer
B
asic pop
u
lation of simula
t
ion workload
commit
|
commitdiff
|
tree
2019-10-02
Paul Bauer
Fix
failures
i
n
clang-8 nightly bui
l
d
commit
|
commitdiff
|
tree
2019-10-02
Pa
u
l Bau
e
r
Pre
p
are f
o
r 20
1
9
.
5
commit
|
commitdiff
|
tree
2019-10-02
P
aul B
a
uer
GRO
M
ACS ver
s
i
o
n 2019
.
4
commit
|
commitdiff
|
tree
2019-10-01
P
a
ul
B
a
u
e
r
Fix chain ID hand
l
i
n
g in
m
ake_n
d
x
commit
|
commitdiff
|
tree
2019-09-26
Paul Bauer
R
e
vert
"
Remove update fl
a
g aga
i
n
"
commit
|
commitdiff
|
tree
2019-09-25
Paul Bauer
GROMACS 2020 fi
r
s
t
beta release
commit
|
commitdiff
|
tree
2019-09-24
Paul Bauer
Ad
d
test for noappend
commit
|
commitdiff
|
tree
2019-09-24
Paul
B
a
uer
Merge branch r
e
lease-2019 into master
commit
|
commitdiff
|
tree
2019-09-24
Pau
l
Bauer
Read in T
P
R char
b
uffe
r
as vector
commit
|
commitdiff
|
tree
2019-09-24
Paul Bauer
Ad
d
release notes for modular si
m
ulator
commit
|
commitdiff
|
tree
2019-09-23
Paul Baue
r
F
ix issu
e
s
when PME r
a
n
k requ
e
st becomes nega
t
i
ve
commit
|
commitdiff
|
tree
2019-09-23
Paul Bau
e
r
Change
M
PI setup
to commun
i
cate TPR
as
buffer
commit
|
commitdiff
|
tree
2019-09-22
Pa
u
l Bauer
Remove
u
pdate
f
l
ag again
commit
|
commitdiff
|
tree
2019-09-19
P
aul Bauer
Add basic int
e
rface to
run
u
pdate
on GP
U
commit
|
commitdiff
|
tree
2019-09-19
Paul Bauer
Sp
l
i
t up do_tpx_bod
y
f
u
nct
i
ons
commit
|
commitdiff
|
tree
2019-09-18
P
a
ul Bau
e
r
Read
TPR file bod
y
in buffer
commit
|
commitdiff
|
tree
2019-09-18
Paul Bauer
Fi
x
MSVC w
a
r
n
ing
commit
|
commitdiff
|
tree
2019-09-17
Pau
l
Bauer
Add deprecation note for 3
2
b
i
t
commit
|
commitdiff
|
tree
2019-09-16
Pa
u
l
B
a
uer
Forma
t
ting fixes for reference manual
commit
|
commitdiff
|
tree
2019-09-13
Paul Bauer
F
ix nigh
t
ly failu
r
es
commit
|
commitdiff
|
tree
2019-09-13
Pau
l
B
a
uer
Add lis
t
of unsupported functions in 2020
commit
|
commitdiff
|
tree
2019-09-11
P
a
ul
Bauer
R
e
move -sub option from trjconv
commit
|
commitdiff
|
tree
2019-09-11
Paul Bauer
Add missing gmxapi requir
e
me
n
ts
commit
|
commitdiff
|
tree
2019-09-11
Pa
u
l Bauer
Basic
t
o
olc
h
ain to fa
c
i
litat
e
GMXAPI b
u
ild
commit
|
commitdiff
|
tree
2019-09-11
P
a
ul Bauer
Disable false positiv
e
warning in ICC and MSVC
commit
|
commitdiff
|
tree
2019-09-10
Paul
Bauer
A
d
d indicatio
n
o
n
how
t
o
e
nable
ImageMa
g
ick con
v
ert
commit
|
commitdiff
|
tree
2019-09-10
Paul
Baue
r
Fix
n
ightly bui
l
d
commit
|
commitdiff
|
tree
2019-09-10
P
a
ul Bauer
Add method
to extract cluste
r
s from t
r
ajectory
commit
|
commitdiff
|
tree
2019-09-09
Paul
B
auer
Add gmx c
o
n
v
e
rt-
t
rj
commit
|
commitdiff
|
tree
2019-08-28
P
aul
Bauer
Fix ret
u
rn
v
alue
commit
|
commitdiff
|
tree
2019-08-28
Paul Bauer
Have select
i
ons
a
vaila
b
le fo
r
mdrun o
n
ly
commit
|
commitdiff
|
tree
2019-08-28
Paul Bauer
Cha
n
ge
tole
r
ance for normal mode tests
commit
|
commitdiff
|
tree
2019-08-26
Paul Bauer
R
e
move section checking api
l
ev
e
l
commit
|
commitdiff
|
tree
2019-08-26
Paul Bau
e
r
Remo
v
e installed head
e
rs from CMake
commit
|
commitdiff
|
tree
2019-08-23
Paul Bauer
Rem
o
v
es c
h
ecke
r
for
install
e
d files
commit
|
commitdiff
|
tree
2019-08-09
Paul Bauer
Add conversion from legacy to moder
n
matrix
type
commit
|
commitdiff
|
tree
2019-08-05
P
a
u
l
B
auer
Add repl
a
cements for pb
c
enumerat
i
on
s
commit
|
commitdiff
|
tree
2019-08-05
Paul Bauer
Add free
fun
c
tion to
convert matr
i
x type
commit
|
commitdiff
|
tree
2019-08-01
Pau
l
B
au
e
r
Merge r
e
lease-2019
into master
commit
|
commitdiff
|
tree
2019-07-30
Paul Bauer
Add
wrapper fo
r
o
u
tpu
t
ada
p
ter m
e
tho
d
s
commit
|
commitdiff
|
tree
2019-07-24
Pau
l
Bauer
Fix doxyge
n
in
co
o
rdi
a
nteio
files
commit
|
commitdiff
|
tree
2019-07-24
Paul Bauer
Add outpu
t
adapte
r
s (3/3)
commit
|
commitdiff
|
tree
2019-07-18
Paul
B
a
u
er
Extend MDLogger lev
e
ls
commit
|
commitdiff
|
tree
2019-07-17
Pau
l
Bauer
Move methods out from trjconv
commit
|
commitdiff
|
tree
2019-07-09
Pa
u
l Bauer
F
i
x li
n
k to acpype repo
s
i
tory
commit
|
commitdiff
|
tree
2019-07-09
Paul Bau
e
r
Fix pos
t
su
b
mit
commit
|
commitdiff
|
tree
2019-07-08
Paul Ba
u
er
Fix issues found by clang-tidy 7
commit
|
commitdiff
|
tree
2019-07-02
Pa
u
l Bauer
Fix bug i
n
gmx
xpm2ps
commit
|
commitdiff
|
tree
2019-06-20
P
aul
B
auer
Use I
S
erializer
f
o
r TPR file IO
commit
|
commitdiff
|
tree
2019-06-19
Pau
l
Bauer
Split tpr header reading reading
from tpr body
commit
|
commitdiff
|
tree
2019-06-18
Paul
Bauer
F
i
x gm
x
dump
commit
|
commitdiff
|
tree
2019-06-18
Paul Bauer
Extend ISer
i
alizer functionali
t
y
commit
|
commitdiff
|
tree
2019-06-14
Paul Bauer
Prepare
f
or 2019
.
4
commit
|
commitdiff
|
tree
2019-06-14
Paul Bauer
Version 2019
.
3
commit
|
commitdiff
|
tree
2019-06-14
Paul Bauer
M
e
rge branch r
e
lease
-
2018 i
n
t
o
rele
a
se
-
2019
commit
|
commitdiff
|
tree
2019-06-12
Paul Bauer
Fix qs
o
rt not
b
e
i
ng defined on Apple Clan
g
commit
|
commitdiff
|
tree
2019-06-11
Paul
Bau
e
r
Fix resi
d
ue and
molecule in
d
e
xing in sele
c
tio
n
s
commit
|
commitdiff
|
tree
2019-06-11
Paul
Bauer
Extend informatio
n
for g
m
xcpp syn
t
a
x
err
o
r
.
commit
|
commitdiff
|
tree
2019-06-11
P
aul Bauer
Add che
c
k f
o
r
too many grid poi
n
ts
in
h
bond
commit
|
commitdiff
|
tree
2019-05-29
Pau
l
Bauer
Version 2018
.
7
commit
|
commitdiff
|
tree
2019-05-27
Paul Bauer
Add more info for wro
n
g line
endings
commit
|
commitdiff
|
tree
2019-05-24
P
a
u
l
B
auer
Fix PQR fo
r
matting
commit
|
commitdiff
|
tree
2019-05-24
Paul Bauer
Fix membran
e
embedding
commit
|
commitdiff
|
tree
2019-05-23
P
a
ul Bauer
A
d
d
ch
e
ck for allo
c
a
t
ing t
o
o
many interactions
commit
|
commitdiff
|
tree
2019-05-13
Paul Bau
e
r
Prep
a
re for 2018
.
7
commit
|
commitdiff
|
tree
2019-05-13
Paul Bauer
F
i
x math for
m
atting in referenc
e
manual
commit
|
commitdiff
|
tree
2019-05-10
Paul Bauer
R
e
move mo
r
e
manu
a
l memory managem
e
nt
commit
|
commitdiff
|
tree
2019-05-03
Paul Bauer
Add o
u
t
p
utadapt
e
rs (2/3)
commit
|
commitdiff
|
tree
2019-05-03
Paul
B
auer
Rep
l
ac
e
t_grps with std
:
:vector
commit
|
commitdiff
|
tree
2019-05-02
Paul Baue
r
Add o
u
tputadapters (1/3)
commit
|
commitdiff
|
tree
2019-05-02
Paul Bauer
Add builder
for TrajectoryFileWr
i
ter
commit
|
commitdiff
|
tree
2019-05-02
Paul
B
au
e
r
F
i
x
FPE in
do
_
steep
commit
|
commitdiff
|
tree
2019-04-26
P
aul Bauer
Ad
d
C++
c
oordinate fil
e
wr
i
ting method
.
commit
|
commitdiff
|
tree
2019-04-25
Pa
u
l
Baue
r
Add
Interface to c
h
ange coordinate
f
i
le inf
o
commit
|
commitdiff
|
tree
2019-04-18
Pa
u
l
Bauer
Upda
t
e
clang-t
i
dy
t
o c
h
eck for
dangling
ref
e
rences
commit
|
commitdiff
|
tree
2019-04-17
Paul Bauer
Ena
b
le printing of known issues
in comma
n
dli
n
e
commit
|
commitdiff
|
tree
2019-04-17
Paul Bauer
Create gmx::compat::str
i
ng_view
commit
|
commitdiff
|
tree
2019-04-16
Pa
u
l B
a
uer
Ref
a
ctor t_pind
e
x
commit
|
commitdiff
|
tree
2019-04-16
Paul Bau
e
r
P
repare
for version 2019
.
3
commit
|
commitdiff
|
tree
2019-04-16
P
a
ul Bau
e
r
Ve
r
s
ion 2019
.
2
commit
|
commitdiff
|
tree
2019-04-16
P
aul
B
a
u
e
r
F
ix off-by
-
one e
r
ror in gm
x
c
l
ust
e
r
commit
|
commitdiff
|
tree
2019-04-07
Paul Bauer
Remove t_topo
l
ogy from two pr
e
proces
s
to
o
ls
commit
|
commitdiff
|
tree
2019-04-04
Paul
Bauer
U
p
d
ate deve
l
oper guide for changes to Gerrit
commit
|
commitdiff
|
tree
next