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Merge branch 'master' of git@git.gromacs.org:gromacs
2010-06-10
S
z
ilard Pall
Merge branch 'm
a
st
e
r'
o
f git@git
.
gr
o
macs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard P
a
l
l
fix
e
d loggin
g
output in do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard
Pall
Merg
e
branch 'master' of git@git
.
gromacs
.
o
rg:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-06-01
S
z
ilard Pall
M
e
rg
e
b
ranch 'master' of git@git
.
gr
o
macs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-01
Szil
a
rd Pal
l
fi
x
ed OpenMM i
n
ter
a
ction t
y
pe ch
e
ck
commit
|
commitdiff
|
tree
2010-05-31
Szilard
P
al
l
mino
r
f
i
xes in
d
itribution files
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
lard
Pall
Merge b
r
anch 'master' of git@gi
t
.
grom
a
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szilard
Pall
Updated RE
A
DME and INSTALL f
i
l
es, add
e
d README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd Pa
l
l
Fixe
d
ty
p
o in CMakeLis
t
s for mdrun-gp
u
commit
|
commitdiff
|
tree
2010-05-30
Szilard
P
all
OpenMM: added combi
n
ation rule check, disabled
r
estraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
S
zilard P
a
ll
Fix for MSV
C
l
inki
n
g and r
e
lease-build OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard
P
all
Fix
e
d some compiler war
i
nigs, min
o
r bugs and d
o
cumentatio
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pal
l
Merge branch 'master' o
f
git@git
.
gr
o
mac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
S
zilard Pall
fixed the PME to
l
e
ranc
e
"adjus
t
m
e
nt" for Open
M
M
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard
P
all
Merge bran
c
h
'master' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
Fix in openmm
_
w
rapper which makes
i
t work wit
h
M
S
V
C
.
commit
|
commitdiff
|
tree
2010-05-12
S
z
ila
r
d Pall
fix
e
d signal handling in m
d
_
o
p
e
nmm
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d Pall
Mer
g
e
branch 'maste
r
' of git@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
mi
n
or fixes
i
n documentatio
n
+
some debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d
Pall
a
dded os-sp
e
ci
f
ic
d
efi
n
es from cmak
e
r
equ
i
red by
m
emtestG80
commit
|
commitdiff
|
tree
2010-05-10
Szilar
d
Pall
MSVC
f
i
x fo
r
gmx
_
parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only
issu
e
openmm constrin
t
s warning if constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
M
e
rge branch 'master' of g
i
t
@
git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
t
emporary fix for compila
t
ion
er
r
or with GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
S
zila
r
d P
a
ll
Me
r
g
e
b
r
anch 'maste
r
' of
g
it@git
.
g
r
omacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge b
r
a
n
c
h
'master
'
of git@git
.
grom
a
cs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pa
l
l
added
gromacs fi
l
e
heade
r
s to the OpenMM-related f
i
le
s
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard P
a
ll
minor fixes,
d
ocum
e
nta
t
ion and sligh
t
API change
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor updates
to Fin
d
Git and FindOpen
M
M
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
updated FindCUDA
to
versi
o
n f
r
o
m
cmake 2
.
8
.
1
f
or CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
Merge
branch 'master' of git@
g
it
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pa
l
l
doxygen
comments
f
o
r the OpenMM
p
art
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
added docu
m
entation for the
o
p
en
m
m
_wr
a
p
per
commit
|
commitdiff
|
tree
2010-04-16
Szilard
Pall
formatting
f
i
x of op
e
n
mm wrapper - gro
m
a
c
s
ifie
d
the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard P
a
l
l
cleaned up a bu
n
ch op mess
i
n do_md_ope
n
mm
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lar
d
Pall
bugfi
x
for do_md_o
p
enmm
-
w
as always p
u
lling data f
r
om
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard Pall
fixed timing b
u
g in do_
m
d
_
openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard P
a
ll
a
d
ded
some more supported GPUs (hig
h
-end
mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
Merge
b
r
a
nc
h
'master'
o
f
git@
g
i
t
.
gromacs
.
o
rg:g
r
omacs
commit
|
commitdiff
|
tree
2010-04-06
Szila
r
d Pall
now g_bar looks
f
or lambd
a
only in
t
h
e last d
i
re
c
tory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szi
l
ard Pal
l
Fixed g_b
a
r bug in
lambda va
l
ue parsing from path
.
commit
|
commitdiff
|
tree
2010-03-29
S
z
i
l
ard Pall
fixed gmxGenerateVersionInfo
.
cmak
e
t
o produce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pall
The cmake de
v
elopment informat
i
on generat
i
ng works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zil
a
rd Pall
added Fi
n
dGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pal
l
fix fo
r
gmxGenerateV
e
rsi
o
nInfo
.
cmak
e
, now works
w
ith
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szil
a
rd
Pall
fixed
USE
_
VERS
I
ON_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szilard
Pall
Mer
g
e bran
c
h
'master' of git@git
.
gr
o
macs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard
Pal
l
fixe
d
the
p
roblem of v
e
rsion
.
c not being built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard
P
all
add
e
d missin
g
VERSION pref
i
x
to _gm
x
_v
e
r_string
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd Pall
fix for genversion
.
sh
t
o
reco
g
n
ize
t
h
e
git://
.
.
.
/gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Sz
i
lard Pall
Me
r
ge bran
c
h
'maste
r
' of git
@
git
.
gromac
s
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-16
Szilard P
a
ll
Cmake implementation to g
e
nera
t
e development build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilar
d
P
all
OpenMM build n
o
t
de
p
endent on fftw any
m
ore
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
lard Pall
fix
e
d m
d
run
v
erb
o
si
t
y with OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szil
a
rd Pa
l
l
f
i
xe
d
a
m
i
ss
i
ng
c
om
m
a and a typo in openmm_
w
rapper
commit
|
commitdiff
|
tree
2010-03-11
S
zi
l
a
r
d P
a
ll
Del
e
te src/
k
ernel/do_md
_
openmm_nopat
c
h
.
h
,
it's
not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
Pall
Mino
r
cleanup, some rearr
a
ng
a
m
e
nt
s
,
and commenting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pa
l
l
R
e
ve
r
ted stupid change in
CMaleLists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
R
ename
d
md_ope
n
mm into openm
m
_wra
p
pe
r
,
and do_md_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixed dead
l
ock occuring in gmx_fatal
.
c: intro
d
uced
.
.
.
commit
|
commitdiff
|
tree