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Enable uncrustify for template
2017-01-13
Ro
l
and Sc
h
ulz
Enable uncrus
t
ify f
o
r
te
m
plate
commit
|
commitdiff
|
tree
2017-01-10
Roland Schulz
Fix
A
VX5
1
2 is
s
ues in deb
u
g
mode
commit
|
commitdiff
|
tree
2017-01-05
Roland Schu
l
z
F
i
x cop
y
right year of previou
s
commit
commit
|
commitdiff
|
tree
2016-12-15
M
.
E
r
ic Irrgang
Fi
x
s
yntax in cma
k
e status messa
g
e
commit
|
commitdiff
|
tree
2016-12-15
Roland Schulz
Add create_unique_with_del
e
t
e
r
commit
|
commitdiff
|
tree
2016-12-15
Roland Sch
u
lz
Replace
s
coped_cptr with uniqu
e
_cpt
r
commit
|
commitdiff
|
tree
2016-12-15
Vedr
a
n Mile
t
ić
Improve inc
l
u
de
s
orter error
r
e
porting
commit
|
commitdiff
|
tree
2016-12-15
Mark Ab
r
aham
Rem
o
ved suppo
r
t for multiple entries in mdp file
s
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Ha
n
dle
w
arninp
correctly
i
n xpm2ps a
n
d membed
commit
|
commitdiff
|
tree
2016-11-23
M
a
rk A
b
r
a
ham
Stop inc
l
uding tn
g
_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-10-21
R
o
land Sc
h
u
l
z
Suppr
e
ss c
p
p
c
heck warning
commit
|
commitdiff
|
tree
2016-10-17
T
e
e
mu
Murtola
Suppo
r
t o
p
tion
a
ssignment from
d
ifferent
precisi
o
n
commit
|
commitdiff
|
tree
2016-10-17
Teemu
M
urtola
Add support for reading values
fr
o
m ref
d
ata
commit
|
commitdiff
|
tree
2016-08-24
Ro
l
and Schulz
Remove unnecessar
y
ICC
w
arning sup
p
ressio
n
commit
|
commitdiff
|
tree
2016-07-23
Ro
l
and Schulz
Merge r
e
lease-2016 into master
commit
|
commitdiff
|
tree
2016-07-18
Roland Schulz
F
ix non-
p
arall
e
l build
commit
|
commitdiff
|
tree
2016-05-27
Erik Lind
a
hl
De
t
ect t
h
e
usage of hwtop XML caching
commit
|
commitdiff
|
tree
2016-04-28
R
oland Schulz
Merge "M
e
rge b
r
anch release-5-1"
commit
|
commitdiff
|
tree
2016-04-18
Tee
m
u Mur
t
ola
Make thread affinity
failures always en
d
up in log
commit
|
commitdiff
|
tree
2016-04-18
Mar
k
A
brah
a
m
Redu
c
e
compilation co
u
p
l
ing of S
I
M
D
module
commit
|
commitdiff
|
tree
2016-04-15
Ro
l
a
nd Schulz
Fix AVX512
s
u
ggestion
commit
|
commitdiff
|
tree
2016-04-04
Erik Lindahl
Fix hwl
o
c n
a
r
rowing warn
i
n
g
on 32-bit archi
t
ectures
commit
|
commitdiff
|
tree
2016-03-26
B
e
rk Hes
s
A
dd real
/
SI
M
D
t
emplate for LJ-14 pairs
commit
|
commitdiff
|
tree
2016-03-10
Roland Schul
z
Improve AVX512
commit
|
commitdiff
|
tree
2016-03-03
Ber
k
He
s
s
Use
SIMD
transp
o
se scatter in bondeds
commit
|
commitdiff
|
tree
2016-01-10
Teemu Murtola
More config
.
h
macr
o
s
to 0/1
commit
|
commitdiff
|
tree
2015-09-23
Roland S
c
hulz
Bump
required CUDA versi
o
n
f
rom
4
.
0+ to 5
.
0
+
commit
|
commitdiff
|
tree
2015-08-07
R
oland Schulz
F
ix missing include
commit
|
commitdiff
|
tree
2015-07-31
D
avid
v
an der Spoel
Chan
g
e initial parameters fo
r
testing e
x
pfit
.
commit
|
commitdiff
|
tree
2015-07-18
Teemu Murtola
M
ove O
p
tions:
:
setDescription(
)
elsewher
e
commit
|
commitdiff
|
tree
2015-07-11
Roland Schulz
Update kernel temp
l
a
te
s
to match kernels
commit
|
commitdiff
|
tree
2015-07-09
R
o
l
and Schulz
New quotes
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
Me
r
ge release-5-1 i
n
to master
commit
|
commitdiff
|
tree
2015-07-08
Rolan
d
S
chulz
Merge release-5
-
0
i
nto r
e
l
e
ase-5-1
commit
|
commitdiff
|
tree
2015-07-08
Roland S
c
hulz
Merg
e
release-
4
-
6 into release-
5
-
0
commit
|
commitdiff
|
tree
2015-06-19
Roland Schulz
Fix mis
s
ing includ
e
commit
|
commitdiff
|
tree
2015-06-16
R
oland Schulz
Fix cons
t
s
in bonde
d
and
c
lincs
commit
|
commitdiff
|
tree
2015-06-14
Berk Hess
Refa
c
tored mdrun
r
esource
d
ivision
commit
|
commitdiff
|
tree
2015-06-12
Teemu M
u
rtola
Extend source layout description in dev gui
d
e
commit
|
commitdiff
|
tree
2015-06-05
R
o
l
a
nd Schul
z
Merge release-5-0
i
nto m
a
ster
commit
|
commitdiff
|
tree
2015-05-30
Roland Schu
l
z
W
ork-around
f
or IC
C
15 on Phi
commit
|
commitdiff
|
tree
2015-05-26
Ro
l
and
S
chulz
Don't set CFLA
G
S for Phi in t
o
o
lchain
commit
|
commitdiff
|
tree
2015-03-17
Roland Sch
u
lz
F
ix linking with s
t
atic li
b
xml2
commit
|
commitdiff
|
tree
2015-02-13
Teem
u
Murtol
a
Generate
m
an pages
t
h
rough Sphin
x
commit
|
commitdiff
|
tree
2015-02-13
Teemu M
u
r
t
ola
Replace tool
H
TML
h
e
lp with Sphinx-generated docs
commit
|
commitdiff
|
tree
2015-02-12
Roland Sc
h
ulz
Merge release-5-0 int
o
master
commit
|
commitdiff
|
tree
2015-02-12
Roland S
c
h
ulz
Me
r
g
e
rele
a
se-4-6 into release-
5
-0
commit
|
commitdiff
|
tree
2015-01-27
Roland Schul
z
Workar
o
und for MemorySanitizer
commit
|
commitdiff
|
tree
2015-01-27
Roland
Schulz
Fix
u
nitliz
e
d memor
y
read
in c
h
eckp
o
int
commit
|
commitdiff
|
tree
2014-12-18
Roland Schulz
F
ix CMP0054 cmake
3
.
1
.
0
w
arnin
g
s
commit
|
commitdiff
|
tree
2014-12-12
Mark Abr
a
ham
Add StringFormatter and form
a
tAndJoin to stringutil
commit
|
commitdiff
|
tree
2014-12-07
Roland S
c
h
u
lz
Merge
r
elease-5-0 in
t
o
m
aster
commit
|
commitdiff
|
tree
2014-11-26
Roland Schulz
Fix
c
lang
w
ith boost
1
.
46
.
1
and 1
.
47
commit
|
commitdiff
|
tree
2014-11-09
Viveca
L
indahl
Fixe
d
typo in cmake
warning
.
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
Backport valgrind s
u
ppression
commit
|
commitdiff
|
tree
2014-11-05
Roland Schulz
Min
o
r u
p
d
ate of boost
R
E
ADME
commit
|
commitdiff
|
tree
2014-10-20
Roland Schulz
Used IWYU to
p
artially clean up
s
ome
i
nclude
s
commit
|
commitdiff
|
tree
2014-10-11
Teemu Murto
l
a
Clea
n
up gmx insert-mole
c
u
l
e
s
commit
|
commitdiff
|
tree
2014-10-11
Teemu Murtola
Ma
k
e 'gmx in
s
ert-molecules
'
tests test out
p
ut
commit
|
commitdiff
|
tree
2014-09-29
Rol
a
nd
Schu
l
z
Merge releas
e
-
4
-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-09-22
Ro
l
an
d
S
chulz
Fix me
s
s
ag
e
about incorrect usage of dihedral
t
ype 9
commit
|
commitdiff
|
tree
2014-09-21
Roland S
c
hulz
M
erge
release-5-0 into master
commit
|
commitdiff
|
tree
2014-09-17
Rol
a
nd Schulz
Mer
g
e
releas
e
-5
-
0 in
t
o
master
commit
|
commitdiff
|
tree
2014-09-17
Roland
S
chu
l
z
Remove no-inline-max
-
size and
s
uppr
e
ss remark
commit
|
commitdiff
|
tree
2014-09-17
R
oland Sc
h
u
lz
V
a
lgrind suppression
for OS X 10
.
9
commit
|
commitdiff
|
tree
2014-09-14
R
oland Schulz
R
emove unnecessary cppcheck include-pat
h
commit
|
commitdiff
|
tree
2014-09-10
Ro
l
and Schul
z
Merge
r
el
e
ase-5-0 int
o
m
a
ster
commit
|
commitdiff
|
tree
2014-09-05
Roland
S
ch
u
l
z
F
i
x bui
l
d for ex
t
ernal boost
1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
Roland Schulz
Merge relea
s
e-5-0 into master
commit
|
commitdiff
|
tree
2014-09-03
Rola
n
d
S
chulz
Merge releas
e
-5-0 into
m
a
ster
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
Fix MingW
b
uild
commit
|
commitdiff
|
tree
2014-08-29
Mark Ab
r
aham
Merge
b
ranch rel
e
ase-4-6
into
r
elease-5-0
commit
|
commitdiff
|
tree
2014-08-25
Rolan
d
Schulz
Merge release-5-0 i
n
to
m
aster
commit
|
commitdiff
|
tree
2014-08-24
Teemu Murtola
Precalculate
p
bc shift for analysi
s
n
bsearch
commit
|
commitdiff
|
tree
2014-08-18
Roland
S
c
h
ulz
Fi
x
n
bnxn templates
commit
|
commitdiff
|
tree
2014-08-18
R
o
land Schulz
Add
I
ntel comm
a
n
d
l
ine
w
arning
commit
|
commitdiff
|
tree
2014-08-16
Rolan
d
Schul
z
Me
r
ge rele
a
se-5-
0
into master
commit
|
commitdiff
|
tree
2014-07-31
Roland Sch
u
lz
M
e
r
ge rele
a
se-5-0 into master
commit
|
commitdiff
|
tree
2014-07-28
R
oland Schulz
Merge release-5-0 into mast
e
r
commit
|
commitdiff
|
tree
2014-07-23
Roland
Schulz
Add
s
upport for int64 in refdata
commit
|
commitdiff
|
tree
2014-07-22
Roland Schu
l
z
Fix
GMX_BUILD_OWN
_
FFTW
f
or C
y
gwi
n
commit
|
commitdiff
|
tree
2014-07-10
Roland Schulz
F
i
x xml2
l
i
nk check rerun
commit
|
commitdiff
|
tree
2014-07-09
Mark Abraham
Name the
tarball how we like it
commit
|
commitdiff
|
tree
2014-07-01
Roland Schulz
Add sup
p
ort for int6
4
in re
f
data
commit
|
commitdiff
|
tree
2014-06-29
Roland Schulz
Merg
e
rel
e
a
s
e-4-6
i
nto
r
elease-5-0
commit
|
commitdiff
|
tree
2014-06-28
Rol
a
nd Schulz
Mer
g
e
r
elease-5-0 i
n
to mas
t
er
commit
|
commitdiff
|
tree
2014-06-28
Ro
l
and Schulz
A
noth
e
r MacOSX r
p
ath f
i
x
commit
|
commitdiff
|
tree
2014-06-27
R
o
land
S
c
h
ulz
M
e
rge release-4-6 into
r
e
l
ease-
5
-0
commit
|
commitdiff
|
tree
2014-06-26
Rola
n
d Schulz
Fix Visual Studio Project
b
ui
l
d
commit
|
commitdiff
|
tree
2014-06-26
R
o
l
a
nd
S
chulz
Fix M
a
c
O
SX rpath
commit
|
commitdiff
|
tree
2014-06-22
R
o
ssen Apostolov
M
ore clear message f
o
r
u
n
def
i
ned pullgroups
.
commit
|
commitdiff
|
tree
2014-06-20
R
oland Schulz
Fix that seeking was
wron
g
i
f frame time was modi
f
ied
commit
|
commitdiff
|
tree
2014-06-19
Ro
l
and Schulz
Merge release-5-0 into
maste
r
commit
|
commitdiff
|
tree
2014-06-19
Rola
n
d Schulz
Disable mayb
e
-uninitialized w
a
rn
i
ng
commit
|
commitdiff
|
tree
2014-06-18
R
o
land
Schulz
Add ASAN build configur
a
t
ion
commit
|
commitdiff
|
tree
2014-06-18
Rola
n
d Schulz
M
e
rg
e
release-5-0 into
master
commit
|
commitdiff
|
tree
2014-06-07
D
a
vid van de
r
Spo
e
l
Merge release
-
5
-
0
i
nto
m
a
s
ter
commit
|
commitdiff
|
tree
2014-06-06
M
a
rk Abrah
a
m
Me
r
ge re
l
e
a
se-4-6
i
n
to release-5-0
commit
|
commitdiff
|
tree
2014-06-03
R
o
land Schulz
Merge release-5-
0
into master
commit
|
commitdiff
|
tree
2014-05-27
Roland
Schulz
Mer
g
e release-5-0 into master
commit
|
commitdiff
|
tree
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