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Merge branch 'master' of git@git.gromacs.org:gromacs
2010-06-17
Szilard Pall
Merge br
a
nch 'master' of
git@
g
i
t
.
gro
m
acs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2010-06-17
Szilar
d
P
a
ll
fixed mi
n
o
r
bug
in openmm_wrapp
e
r
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
Im
p
lemented (bugg
y
) gcc 4
.
1
.
x c
h
eck in cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Szila
r
d
P
all
fixed warnin
g
s
in gmx_g
p
u
_
uti
l
s and op
e
nmm_wrap
p
er
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
Merge branch 'm
a
ster' o
f
g
i
t@git
.
g
r
omacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed logging output in d
o
_
m
d
_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szi
l
a
rd Pal
l
M
e
r
ge bran
c
h '
m
as
t
e
r
' o
f
git@git
.
gromacs
.
org
:
gr
o
macs
commit
|
commitdiff
|
tree
2010-06-01
Szilard
P
all
Merg
e
branch
'
master' o
f
git@gi
t
.
gromacs
.
org:gro
m
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Szila
r
d Pall
fixed OpenMM interaction type check
commit
|
commitdiff
|
tree
2010-05-31
Szilar
d
Pal
l
minor fixes in
ditr
i
bution files
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
lard P
a
ll
Mer
g
e
branch
'
master' of g
i
t@git
.
grom
a
cs
.
or
g
:
gromacs
commit
|
commitdiff
|
tree
2010-05-31
S
zilard
P
a
l
l
U
p
d
at
e
d
R
EADME and INSTALL files, ad
d
e
d
README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd
Pall
Fixe
d
typo in
CMakeLists
f
or mdrun-gp
u
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
OpenMM: added comb
i
nation rule
c
h
eck,
disabled restr
a
in
t
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
S
z
ilard Pall
Fix
for
MSVC
linking
a
nd
release-buil
d
OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szi
l
ard Pa
l
l
Fixed s
o
me compile
r
warin
i
gs,
m
inor b
u
gs and do
c
ume
n
tation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
S
z
ilard Pall
Mer
g
e branch
'
ma
s
ter
'
of git@git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Sz
i
lard Pall
fixe
d
t
he PME t
o
ler
a
nce "adjust
m
ent
"
for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
Me
r
ge branc
h
'master' of git
@
git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
il
a
rd P
a
ll
Fix in op
e
n
m
m_wrapper which makes
i
t
w
ork
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
f
ixed
s
ignal h
a
n
dling
i
n
md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Merge bra
n
ch 'master'
o
f git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pa
l
l
mi
n
or
fixes
i
n
d
o
cumen
t
ation + some debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added o
s
-specifi
c
defin
e
s from cmak
e
required b
y
memtestG8
0
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
M
S
VC
f
i
x
f
or gmx
_
p
a
rallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only iss
u
e openmm constri
n
ts warning if con
s
tr
a
ins
t
a
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'master'
o
f
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
tempor
a
ry fix for compila
t
ion error w
i
th GMX_OPE
N
MM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard P
a
ll
Merge bra
n
ch 'mas
t
er' of g
i
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
zil
a
r
d
Pa
l
l
Merge branch 'master' of g
i
t@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pa
l
l
ad
d
ed gromacs
file headers to
the OpenMM-r
e
l
a
ted files
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
minor
fixes, document
a
tion and slight API change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
m
i
nor updates to FindGit
a
nd FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
up
d
ated FindCUDA to
version fr
o
m cmake 2
.
8
.
1
f
o
r CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szil
a
rd
P
all
Merge branch '
m
aster' of g
i
t@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
S
zi
l
ard Pall
doxygen comme
n
ts
for the OpenMM
part
commit
|
commitdiff
|
tree
2010-04-16
Szi
l
ar
d
Pall
added docum
e
ntation for the op
e
nmm_wr
a
pper
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
formatting fi
x
of openmm
w
rapper
-
g
r
o
macsifie
d
the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szila
r
d
P
a
ll
cle
a
n
ed u
p
a bunch op me
s
s in
d
o
_
md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
a
ll
bugf
i
x for do_md_openmm - was always pulling dat
a
from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard Pall
fixe
d
timing bug in
do_md_op
e
nmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard Pa
l
l
added
s
ome more supported GPUs (high-end mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szila
r
d Pall
Merge
branch 'master'
o
f
git@gi
t
.
gro
m
acs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-04-06
Sz
i
lard Pal
l
now g_bar look
s
f
or
lambda only in the last directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pall
Fixed g_bar bug i
n
lambda value p
a
r
s
ing f
r
om path
.
commit
|
commitdiff
|
tree
2010-03-29
Sz
i
lard Pal
l
f
ixed gm
x
Genera
t
eVersionInfo
.
cmake to produce 8 digi
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zi
l
ard
Pall
T
h
e c
m
a
k
e devel
o
pment inf
o
rmation ge
n
e
rating
works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
Pall
add
e
d Fi
n
dG
i
t
.
cmake scr
i
p
t
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
l
a
rd
Pall
fix
f
or
gm
x
GenerateVersio
n
I
n
fo
.
cmake, now wor
k
s with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed USE_VERSION_H
C
make option
commit
|
commitdiff
|
tree
2010-03-18
S
zilard
Pall
M
e
rge branch 'master' of git@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
S
zilar
d
Pa
l
l
fixed
t
h
e problem of
v
ersion
.
c no
t
bei
n
g built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pa
l
l
added missing VERSION pr
e
fix to
_
gm
x
_
v
e
r
_
string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
fix f
o
r genversion
.
sh to recogniz
e
the
g
it://
.
.
.
/gr
o
ma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
S
zilard
Pall
Merge branch 'master'
of git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake impl
e
mentation to generate development
b
uild
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
Pal
l
O
p
enMM build
n
ot
d
e
pendent on fftw anymor
e
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
f
ixed mdrun verbosity wit
h
OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fi
x
ed a
missing c
o
m
m
a and a
typo in
o
penmm_w
r
apper
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
lard Pall
Delete
src/kernel/do_m
d
_openmm_
n
opatc
h
.
h, it
'
s
not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard P
a
ll
Minor clea
n
up, some rear
r
angaments, and com
m
enting
.
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d Pall
Reverted stup
i
d ch
a
nge in CM
a
le
L
i
s
t
s
.
t
x
t
commit
|
commitdiff
|
tree
2010-03-11
S
zilard Pall
Rena
m
ed md
_
openmm
into openmm
_
w
r
apper, a
n
d do_md_
o
pe
n
mm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
S
z
i
l
a
rd
P
a
ll
Fixed deadlock o
c
curing
i
n
g
mx_f
a
tal
.
c: intro
d
uced
.
.
.
commit
|
commitdiff
|
tree