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 branch 'origin/release-2021' into merge-2021-into-master
2020-11-24
Pau
l
Bauer
Merge branch 'or
i
gin/release-202
1
' into merge-2021
.
.
.
commit
|
commitdiff
|
tree
2020-11-24
P
a
u
l
Bauer
Mer
g
e
b
ranch 'origin/release-2020' into m
e
rge-2020
.
.
.
commit
|
commitdiff
|
tree
2020-11-24
Paul Bauer
Fix g
m
x
h2orde
r
-d
o
ption
commit
|
commitdiff
|
tree
2020-11-23
P
a
u
l Bau
e
r
Fixes for
Intel
a
nd con
t
a
i
n
er build fi
x
es
commit
|
commitdiff
|
tree
2020-11-20
Paul Bauer
Fix missing copyright
chan
g
e
s
commit
|
commitdiff
|
tree
2020-11-12
P
a
ul
B
auer
Fix thread mpi
l
i
n
king for mdrun only
bui
l
d
commit
|
commitdiff
|
tree
2020-11-12
Paul Bau
e
r
Res
t
ore corr
e
c
t d
y
n
ami
c
s
l
inking behavi
o
ur
commit
|
commitdiff
|
tree
2020-11-11
Paul Bauer
Fix gmx do_dssp CHARM
M
support
commit
|
commitdiff
|
tree
2020-11-11
Paul Ba
u
er
Fix segmentation
f
ault in
g
m
x pairdist
commit
|
commitdiff
|
tree
2020-11-11
Paul Bauer
Second GROMACS 2021 beta release
commit
|
commitdiff
|
tree
2020-11-10
Pa
u
l Bauer
Disable failing NB-LIB liste
d
f
orces tests
commit
|
commitdiff
|
tree
2020-11-09
Paul Bauer
U
s
e images from GitLab docker re
p
ository
commit
|
commitdiff
|
tree
2020-11-05
Pa
u
l Bauer
Allow pdb2gmx to handle cyc
l
ic m
o
lecules
commit
|
commitdiff
|
tree
2020-11-05
P
a
ul Bauer
Al
l
ow CUDA build tests to
s
ucceed without GPU
commit
|
commitdiff
|
tree
2020-11-05
Pau
l
Bauer
Merge branch 'orig
i
n/r
e
lease-202
1
' into me
r
ge-
2
02
1
.
.
.
commit
|
commitdiff
|
tree
2020-11-05
Pa
u
l Bauer
Limit pa
r
allelism
i
n
Githu
b
CI
commit
|
commitdiff
|
tree
2020-11-03
Pa
u
l
B
a
u
er
Add Clang CUDA build to C
I
commit
|
commitdiff
|
tree
2020-10-30
Paul Bauer
F
ix unu
s
ed variable warnings
commit
|
commitdiff
|
tree
2020-10-30
P
a
ul
B
auer
Add missing fix
f
or Cla
n
g CUD
A
commit
|
commitdiff
|
tree
2020-10-30
Pau
l
Bauer
Fix build issues with Cla
n
g CUDA
commit
|
commitdiff
|
tree
2020-10-29
Paul
B
auer
Fix CUDA
co
d
e issues
commit
|
commitdiff
|
tree
2020-10-29
P
aul Bauer
Default
initialize pull dat
a
struct
u
res
commit
|
commitdiff
|
tree
2020-10-27
Pau
l
Bauer
Fix remaining clan
g
tidy issues with OpenC
L
commit
|
commitdiff
|
tree
2020-10-27
Paul Baue
r
Mix
m
inor cla
n
g-tidy warning in dou
b
le
commit
|
commitdiff
|
tree
2020-10-27
Paul
B
aue
r
Don't
d
ep
l
oy nightly we
b
pages
commit
|
commitdiff
|
tree
2020-10-24
Paul Ba
u
e
r
D
isallow OpenM
P
on Windows in CI
commit
|
commitdiff
|
tree
2020-10-22
Pau
l
Bau
e
r
Fix
p
r
o
pagati
n
g flags
for Intel + Windows
commit
|
commitdiff
|
tree
2020-10-22
Paul Bauer
Fix
s
tatic
l
inki
n
g wit
h
MS
V
C
commit
|
commitdiff
|
tree
2020-10-22
Pa
u
l Ba
u
er
Prepare mas
t
er for
2022
commit
|
commitdiff
|
tree
2020-10-21
Paul Bauer
Onl
y
build nbl
i
b te
s
ts w
h
en req
u
es
t
ed
commit
|
commitdiff
|
tree
2020-10-20
P
aul Bau
e
r
M
e
rge branch 'origin/release-202
0
' int
o
m
e
r
g
e-release
.
.
.
commit
|
commitdiff
|
tree
2020-10-20
Paul Bau
e
r
U
p
date CI rules for rele
a
se-20
2
1
commit
|
commitdiff
|
tree
2020-10-20
Paul
B
a
u
er
GROMACS 2
0
21 first beta rel
e
ase
commit
|
commitdiff
|
tree
2020-10-20
Paul Bauer
Reve
r
t "GRO
M
ACS 2021 fi
r
s
t
beta release"
commit
|
commitdiff
|
tree
2020-10-20
Paul Baue
r
G
R
O
MAC
S
20
2
1 first beta
re
l
e
a
se
commit
|
commitdiff
|
tree
2020-10-19
Paul Bauer
A
d
d
r
elease hig
h
lights
commit
|
commitdiff
|
tree
2020-10-19
Paul Bauer
Revert "A
d
d muparser a
n
d CMake handling"
commit
|
commitdiff
|
tree
2020-10-18
Pau
l
Bauer
E
n
ab
l
e MSVC and
M
acOSX testing on Github
commit
|
commitdiff
|
tree
2020-10-13
Paul
B
auer
F
i
x m
i
ssing c
o
pyright and rel
e
ase n
o
tes
commit
|
commitdiff
|
tree
2020-10-13
Paul Bauer
D
o
not vali
d
ate build for
external so
u
rce managemen
t
commit
|
commitdiff
|
tree
2020-10-09
Paul Baue
r
Remove
under the
h
ood e
d
i
t
i
ng
of pdb files
commit
|
commitdiff
|
tree
2020-10-07
Pa
u
l
Ba
u
er
Fix exces
s
ive hackblock warning output
commit
|
commitdiff
|
tree
2020-10-07
Paul Bauer
Fix download location for regre
s
si
o
ntests
commit
|
commitdiff
|
tree
2020-10-07
Pa
u
l
B
auer
F
i
x SYCL
compilat
i
o
n
commit
|
commitdiff
|
tree
2020-10-07
Paul
B
aue
r
Merge branch
'orig
i
n/re
l
ease-2020' into me
r
ge-re
l
ease
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
Paul Bauer
Set prope
r
device
V
endor
with SYCL
commit
|
commitdiff
|
tree
2020-10-06
Paul B
a
uer
P
repa
r
e for GRO
M
ACS 2020
.
5
commit
|
commitdiff
|
tree
2020-10-06
Paul Ba
u
er
GROMACS version 2020
.
4
commit
|
commitdiff
|
tree
2020-10-05
Paul B
a
uer
Always set D
e
vi
c
eVendo
r
commit
|
commitdiff
|
tree
2020-10-05
Paul B
a
uer
Fix de
b
u
g
m
essage
locat
i
on
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
Add muparser and CMak
e
ha
n
dling
commit
|
commitdiff
|
tree
2020-10-05
P
a
ul Bauer
Fix doxygen war
n
ings
commit
|
commitdiff
|
tree
2020-10-02
Paul
B
auer
W
o
rk-around for RDR
A
ND returning -
1
on Ry
z
e
n
commit
|
commitdiff
|
tree
2020-10-02
P
a
ul Baue
r
Remove anony
m
ous n
a
mespace in ARM SVE
h
eader
commit
|
commitdiff
|
tree
2020-10-01
Pa
u
l
Ba
u
er
Break
u
p
MPI tes
t
s
commit
|
commitdiff
|
tree
2020-10-01
Paul Bauer
Fix post
merge a
c
ceptance pi
p
eline for
r
e
lease-2020
commit
|
commitdiff
|
tree
2020-09-30
Paul Bauer
U
p
da
t
e CI on 2020 bran
c
h
commit
|
commitdiff
|
tree
2020-09-30
Paul Baue
r
Rev
e
r
t "
A
dd n
e
w GRO
M
A
CS
l
ogo
and use it
i
n
the man
u
al
.
"
commit
|
commitdiff
|
tree
2020-09-30
Paul Bauer
Add
n
ew GROMACS logo and
u
se
it in the manu
a
l
.
commit
|
commitdiff
|
tree
2020-09-29
Paul Bauer
Fix
doxygen warnings
commit
|
commitdiff
|
tree
2020-09-29
Pa
u
l Bauer
Add post s
u
bmit ru
l
es
to C
I
commit
|
commitdiff
|
tree
2020-09-28
P
aul Ba
u
e
r
Change download for regressio
n
tes
t
away from
g
errit
commit
|
commitdiff
|
tree
2020-09-25
Paul B
a
ue
r
Fi
x
b
ad
log
i
c
in re
g
ressiontest branch
selection
commit
|
commitdiff
|
tree
2020-09-24
Paul Ba
u
er
Allow
d
eployment of nig
h
tly web
p
age to ser
v
er
commit
|
commitdiff
|
tree
2020-09-22
P
a
u
l Bauer
Make
Onea
p
i use CC
a
che again
commit
|
commitdiff
|
tree
2020-09-21
Paul Bauer
Fix script building all CI cont
a
ine
r
s and add g
c
ovr
commit
|
commitdiff
|
tree
2020-09-21
Paul Bauer
A
d
d
OpenSSH to
docs build
images
commit
|
commitdiff
|
tree
2020-09-16
Paul Bauer
B
r
e
a
k
off s
o
me tests from mdrun tests
commit
|
commitdiff
|
tree
2020-09-15
Paul Bau
e
r
B
r
eak off some tests
f
rom
m
drun tests
commit
|
commitdiff
|
tree
2020-09-15
Paul Bauer
Fi
x
mis
s
in
g
instal
l
e
d files for Ope
n
CL PME
commit
|
commitdiff
|
tree
2020-09-15
Paul Bauer
Fi
x
miss
i
n
g
i
n
clude
f
or MSVC build
commit
|
commitdiff
|
tree
2020-09-11
Paul Ba
u
er
R
emove left
o
ver
d
ata after refactoring
commit
|
commitdiff
|
tree
2020-09-11
Paul
B
au
e
r
Fix doxygen for un
u
sed para
m
e
ters
.
commit
|
commitdiff
|
tree
2020-09-11
Paul Bauer
For
c
e us
e
of P
y
thon3 i
n
Do
x
ygen
C
MakeFil
e
s
commit
|
commitdiff
|
tree
2020-09-10
P
aul Bauer
Min
o
r fix to the prin
t
out for regtest builds
commit
|
commitdiff
|
tree
2020-09-08
Paul B
a
u
e
r
Move densityfitting to
its
o
wn directory
commit
|
commitdiff
|
tree
2020-09-07
P
aul
B
a
ue
r
Fix output
s
tring
f
or GPU
s
upport
commit
|
commitdiff
|
tree
2020-08-31
Paul Bauer
M
e
rge branch 'rele
a
se-2020' into master
commit
|
commitdiff
|
tree
2020-08-17
P
au
l
B
a
uer
Fix
c
lang-format
commit
|
commitdiff
|
tree
2020-08-17
Paul
Bauer
Redu
c
e
artifa
c
t size
commit
|
commitdiff
|
tree
2020-07-27
Paul
Bauer
Revert
"
Chan
g
e b
u
ilds that
u
s
e failin
g
do
c
k
e
r containers"
commit
|
commitdiff
|
tree
2020-07-09
Paul Bau
e
r
Pr
e
p
are f
o
r
G
ROMACS 202
0
.
4
commit
|
commitdiff
|
tree
2020-07-09
Paul Bauer
GROMACS ve
r
sion 20
2
0
.
3
commit
|
commitdiff
|
tree
2020-07-07
Paul Bau
e
r
M
o
ve den
s
i
t
yfitting to its own directory
commit
|
commitdiff
|
tree
2020-07-01
Paul Bau
e
r
Revert "Make every
t
hing
run on G
i
t
l
ab in
f
r
a
structure
.
"
commit
|
commitdiff
|
tree
2020-07-01
Pa
u
l Bauer
Change bui
l
ds t
h
at use failing docker
c
ontainers
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Disable failin
g
builds for master branch
commit
|
commitdiff
|
tree
2020-06-29
Pau
l
Bauer
Ma
k
e ev
e
rything r
u
n on Gitl
a
b
inf
r
astructure
.
commit
|
commitdiff
|
tree
2020-06-26
Paul Bauer
Make DSSP default pat
h
c
onfigu
r
a
ble
commit
|
commitdiff
|
tree
2020-06-26
Paul
B
auer
Minor cl
e
anup in gmx bar
commit
|
commitdiff
|
tree
2020-06-24
Pa
u
l
B
a
uer
Fix
w
arning about n
e
edi
n
g config
.
h
commit
|
commitdiff
|
tree
2020-06-18
Paul Bauer
Fix m
i
ssing #i
n
clu
d
e <s
t
ring>
commit
|
commitdiff
|
tree
2020-06-12
Paul B
a
ue
r
Fix false initialization values in gmx
h
bond
commit
|
commitdiff
|
tree
2020-06-11
Paul B
a
uer
Fix false
i
niti
a
liza
t
ion values
in gmx hbond
commit
|
commitdiff
|
tree
2020-06-10
Paul Bauer
Proper
fix fo
r
gmx do_dssp
commit
|
commitdiff
|
tree
2020-06-09
Paul Baue
r
E
xtract
C
OM handli
n
g from
t
rjconv
commit
|
commitdiff
|
tree
2020-06-05
P
au
l
Baue
r
Fix segmentation fault when read
i
ng energy t
e
rms
commit
|
commitdiff
|
tree
2020-06-05
P
aul B
a
u
er
Use moltype di
r
e
ctly
for o
b
taining residueAtomRanges
commit
|
commitdiff
|
tree
2020-06-05
P
aul Bauer
Fix faili
n
g webpage buil
d
commit
|
commitdiff
|
tree
2020-06-04
Pa
u
l
B
auer
Add ab
i
lity to chose regre
s
siont
e
st commit
a
nd branch
commit
|
commitdiff
|
tree
next