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
Use test conversion script from source
2020-04-29
Paul B
a
uer
Use test con
v
ersion scr
i
p
t
from source
commit
|
commitdiff
|
tree
2020-04-27
P
a
ul Bauer
Fix segmentati
o
n fault
i
n do_dssp
commit
|
commitdiff
|
tree
2020-04-27
Pau
l
Ba
u
er
B
uild
p
ytho
n
package
f
or documentation
builds
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix warni
n
g for return type
commit
|
commitdiff
|
tree
2020-04-27
Pa
u
l Bauer
Fix bug in source verif
i
cation on W
i
ndows
commit
|
commitdiff
|
tree
2020-04-25
Pa
u
l
Bauer
Fix copyright
h
eader
commit
|
commitdiff
|
tree
2020-04-25
Paul Bau
e
r
Use b
r
anc
h
point also for for
m
at and copyrig
h
t che
c
k
commit
|
commitdiff
|
tree
2020-04-24
Paul Bauer
F
ix paral
l
el te
s
ting
commit
|
commitdiff
|
tree
2020-04-22
Paul Bauer
Co
p
y
o
f CI from
m
aster to 2020
commit
|
commitdiff
|
tree
2020-03-22
Paul Bauer
Fi
x
release b
u
ilds on Gitlab with
r
e
gressiontests
commit
|
commitdiff
|
tree
2020-03-22
Paul Bauer
Add Documentati
o
n
b
uil
d
t
o script
commit
|
commitdiff
|
tree
2020-03-20
Paul Bauer
Ad
d
script to generate CI Docker files
commit
|
commitdiff
|
tree
2020-03-19
Paul Bauer
Add required Inf
r
astructure f
o
r Gitlab
me
r
ges
commit
|
commitdiff
|
tree
2020-03-18
Paul Bauer
Fix ima
g
e
mixup
for
G
I
t
lab doc b
u
i
lds
commit
|
commitdiff
|
tree
2020-03-07
Paul Bauer
Add c
l
ang-tidy sc
r
ipt
commit
|
commitdiff
|
tree
2020-03-03
Paul Bau
e
r
P
repare for 20
2
0
.
2
commit
|
commitdiff
|
tree
2020-03-03
Paul
Bau
e
r
Ve
r
sion 20
2
0
.
1
commit
|
commitdiff
|
tree
2020-03-03
Paul Bauer
Alw
a
ys has
h
files when
b
uild
i
n
g
f
r
om relea
s
e
t
a
rball
commit
|
commitdiff
|
tree
2020-03-02
Paul Bauer
Ad
d
Cuda
b
uild to
g
itlab
C
I
commit
|
commitdiff
|
tree
2020-03-02
Paul
Bauer
Rev
e
rt "Remo
v
e frozen at
o
ms from VCM grou
p
s"
commit
|
commitdiff
|
tree
2020-03-02
Paul Bauer
Remov
e
frozen atoms from VCM
g
roups
commit
|
commitdiff
|
tree
2020-02-28
Pa
u
l
B
auer
Merge branch release-2019 into re
l
ease-2020
commit
|
commitdiff
|
tree
2020-02-28
Pau
l
Ba
u
er
Define a
l
l CPU NB kernels
commit
|
commitdiff
|
tree
2020-02-28
Paul
B
auer
Version 2019
.
6
commit
|
commitdiff
|
tree
2020-02-25
Paul
Bauer
Avoid integer ov
e
rflow in dispersion correction
commit
|
commitdiff
|
tree
2020-02-25
P
aul Baue
r
Revert "Expose vsite cou
n
t
ing"
commit
|
commitdiff
|
tree
2020-02-24
Pau
l
Bauer
Fix cl
a
ng-
6
image tem
p
l
a
te
commit
|
commitdiff
|
tree
2020-01-29
Paul Baue
r
Workaround for Gitl
a
b
a
rchiv
e
size
commit
|
commitdiff
|
tree
2020-01-24
Paul Bauer
Use utf-8
f
o
r
p
ython file reading
commit
|
commitdiff
|
tree
2020-01-21
Paul Bauer
F
ix docu
m
entation erro
r
wit
h
do
x
ygen
>
1
.
8
.
16
commit
|
commitdiff
|
tree
2020-01-17
Paul Bauer
Actually fix
Gi
t
lab doc build
commit
|
commitdiff
|
tree
2020-01-17
P
a
ul Bauer
Fix bad lin
k
in developer docs
commit
|
commitdiff
|
tree
2020-01-16
Paul Bauer
Fix nig
h
tly build failure on
G
itl
a
b
commit
|
commitdiff
|
tree
2020-01-13
Paul
Bauer
R
evert "Exclude build-system fi
l
es from CPac
k
"
commit
|
commitdiff
|
tree
2020-01-01
Paul Bau
e
r
Pr
e
pare fo
r
2020
.
1
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
GROMACS
2
020 releas
e
commit
|
commitdiff
|
tree
2020-01-01
P
a
ul Bauer
Rev
e
r
t
"
GROMACS 2020 release"
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
GROMA
C
S 2020 release
commit
|
commitdiff
|
tree
2019-12-30
Paul Bauer
Fix build error
wi
t
h wrong
n
a
m
e
from cac
h
ed cm
a
ke file
commit
|
commitdiff
|
tree
2019-12-28
Paul Bau
e
r
Cha
n
ge r
e
leng to give inform
a
t
i
on
about Git
l
ab
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
Ext
e
nd informati
o
n fo
r
GPU
update
commit
|
commitdiff
|
tree
2019-12-28
P
a
u
l Baue
r
Exclu
d
e build-system f
i
les from CPack
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
Remove membe
d
fro
m
features
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
Deprecate support for A
r
mv7
commit
|
commitdiff
|
tree
2019-12-27
Pa
u
l Baue
r
Add cop
y
r
i
g
h
t
check an
d
im
p
rove
cache u
s
a
ge
commit
|
commitdiff
|
tree
2019-12-27
P
a
ul Ba
u
er
M
e
r
g
e
o
rigin/release-2019
i
n
to release-2020
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
Ad
d
files f
o
r G
i
tlab CI
commit
|
commitdiff
|
tree
2019-12-23
Paul
B
aue
r
Prepare
f
o
r GROMACS 2
0
1
9
.
6
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
GR
O
MACS versi
o
n 2019
.
5
commit
|
commitdiff
|
tree
2019-12-23
Paul Bau
e
r
Revert "Fix
tha
t
tests inte
n
ded for mu
l
tiple ranks
.
.
.
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
Fix wrong header in relea
s
e not
e
s
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
GROMACS 2020
release
c
andidate
commit
|
commitdiff
|
tree
2019-12-19
Paul Bau
e
r
Fix
r
e
g
ressio
n
tests fail
i
ng with ctest
commit
|
commitdiff
|
tree
2019-12-18
Paul
B
auer
A
dd ability to set
O
MP a
n
d t
M
P
I
thread
f
or ctest
commit
|
commitdiff
|
tree
2019-12-18
Paul Bauer
Ignore
b
ui
l
d host
for CI buil
d
s
commit
|
commitdiff
|
tree
2019-12-17
Pau
l
Bau
e
r
Test parallel m
p
i only w
i
th openmp
commit
|
commitdiff
|
tree
2019-12-17
Paul Baue
r
Set correct depen
d
ency
f
or doc buil
d
on gmxapi
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Fix compi
l
er w
a
rning about extra
;
commit
|
commitdiff
|
tree
2019-12-17
Pau
l
Bau
e
r
Fix formatting error
commit
|
commitdiff
|
tree
2019-12-16
Paul Ba
u
er
Fix torsio
n
ang
l
e cal
c
ulation
commit
|
commitdiff
|
tree
2019-12-13
Paul Bauer
Check for usin
g
correct
h
w
l
o
c
headers an
d
r
untime
commit
|
commitdiff
|
tree
2019-12-03
Pau
l
Bauer
Th
i
rd be
t
a
r
el
e
ase
of
G
R
OMA
C
S
20
2
0
commit
|
commitdiff
|
tree
2019-12-03
Pau
l
B
a
uer
R
e
ver
t
"Enable GP
U
update wi
t
h DD
whe
n
G
P
U comm
featu
r
es
.
.
.
commit
|
commitdiff
|
tree
2019-12-03
Paul Bauer
Fix nightly bu
i
l
d
by corr
e
ctly defi
n
i
n
g s
e
veral
commit
|
commitdiff
|
tree
2019-12-02
Paul
Bauer
S
e
t
update to ru
n
on GPU b
y
default
i
f
possible
commit
|
commitdiff
|
tree
2019-12-01
Paul Bauer
Use D
O
I for ci
t
ing
i
n r
e
fer
e
nce manual section
commit
|
commitdiff
|
tree
2019-11-29
P
aul Bauer
Fix
unaligned acces
s
with AVX512
commit
|
commitdiff
|
tree
2019-11-29
P
a
u
l Bauer
Fix
b
uild erro
r
without thread or
r
egular mpi
commit
|
commitdiff
|
tree
2019-11-28
Paul Bauer
Check for us
i
ng
correct hw
l
oc heade
r
s
and runtime
commit
|
commitdiff
|
tree
2019-11-28
Pa
u
l Bauer
Fix post
s
ubm
i
t
commit
|
commitdiff
|
tree
2019-11-26
Paul
Bauer
Fix u
n
used variable war
n
i
n
g in ewald code
commit
|
commitdiff
|
tree
2019-11-20
Paul Bauer
Merge 'origin
/
rel
e
as
e
-
2
019' into release-2020
commit
|
commitdiff
|
tree
2019-11-14
P
aul Bauer
Fix formattin
g
error
commit
|
commitdiff
|
tree
2019-11-13
P
a
ul Bauer
A
dd
build t
o
run
clang-for
m
at update
o
n Jenkins
commit
|
commitdiff
|
tree
2019-11-12
Paul
Bauer
Indicate which versions are no longe
r
supported
commit
|
commitdiff
|
tree
2019-11-07
Paul B
a
ue
r
Apply clang-format to source tree
commit
|
commitdiff
|
tree
2019-11-04
Paul Baue
r
Ad
d
bui
l
d for c
l
ang-form
a
t
commit
|
commitdiff
|
tree
2019-11-04
Paul
B
auer
Spli
t
up source co
d
e format
t
ing sc
r
ipts
commit
|
commitdiff
|
tree
2019-11-01
Paul
B
auer
Second beta
r
elease of
GROMACS 2020
commit
|
commitdiff
|
tree
2019-11-01
Paul
B
auer
Prepare for
2
0
20
beta 2
commit
|
commitdiff
|
tree
2019-11-01
Paul Ba
u
er
A
d
d
v
a
lidati
o
n of ta
r
b
a
l
l
builds
commit
|
commitdiff
|
tree
2019-10-31
P
a
ul Bauer
Use
t
ype of explicit size in in
m
emo
r
y
s
erializer
commit
|
commitdiff
|
tree
2019-10-29
Paul
B
auer
M
e
rge "Merge br
a
nch 'release
-
201
9
' into master"
commit
|
commitdiff
|
tree
2019-10-29
Paul
B
au
e
r
M
e
rge branch
'
r
e
l
ease-2019' into master
commit
|
commitdiff
|
tree
2019-10-18
Pa
u
l
Bau
e
r
Use cla
n
g-tidy-8
commit
|
commitdiff
|
tree
2019-10-15
Paul Ba
u
er
Fix bug in preprocessing
commit
|
commitdiff
|
tree
2019-10-11
Paul Bauer
Add he
l
per to reuse
g
enerate
d
TPR files in testin
g
commit
|
commitdiff
|
tree
2019-10-10
Paul Bauer
B
asic popu
l
ation of
s
imulation wo
r
kload
commit
|
commitdiff
|
tree
2019-10-02
P
a
u
l
B
a
uer
Fix failures in c
l
ang-8
nightly build
commit
|
commitdiff
|
tree
2019-10-02
Paul B
a
uer
P
repar
e
f
o
r
2
019
.
5
commit
|
commitdiff
|
tree
2019-10-02
Paul
Bauer
GROM
A
CS version
2
019
.
4
commit
|
commitdiff
|
tree
2019-10-01
Paul Bauer
F
ix chain ID ha
n
dli
n
g
in make_
n
dx
commit
|
commitdiff
|
tree
2019-09-26
Pa
u
l Bauer
Rever
t
"R
e
mo
v
e upd
a
te flag again"
commit
|
commitdiff
|
tree
2019-09-25
P
a
ul Bauer
GROMACS 2020 first be
t
a re
l
ease
commit
|
commitdiff
|
tree
2019-09-24
Pau
l
Baue
r
Add te
s
t for noappen
d
commit
|
commitdiff
|
tree
2019-09-24
Pau
l
Ba
u
er
Merge branch release-2019 int
o
master
commit
|
commitdiff
|
tree
2019-09-24
Paul Bauer
Read i
n
TPR char buffer as vec
t
o
r
commit
|
commitdiff
|
tree
2019-09-24
Pau
l
Bauer
Add release
n
o
t
es for modular
si
m
ulator
commit
|
commitdiff
|
tree
2019-09-23
Paul Bauer
F
i
x issues
when
P
ME rank
request becom
e
s
ne
g
ative
commit
|
commitdiff
|
tree
2019-09-23
Paul
Bauer
Change MPI setup to commun
i
cate TPR as buf
f
e
r
commit
|
commitdiff
|
tree
next