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fixed logging output in do_md_openmm
2010-06-10
Sz
i
la
r
d Pall
fixed lo
g
ging ou
t
put in do_md_openm
m
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pall
Mer
g
e bran
c
h '
m
aster
'
of git@git
.
gro
m
a
cs
.
org:
g
roma
c
s
commit
|
commitdiff
|
tree
2010-06-01
S
zilard Pall
Merge
branch '
m
aster' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
S
z
i
lard
P
all
fixe
d
OpenMM in
t
eraction type check
commit
|
commitdiff
|
tree
2010-05-31
Szilard
P
al
l
minor
f
ixes in ditribution fil
e
s
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
lard P
a
ll
Merge branch 'master' o
f
g
i
t@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
ard
Pall
U
p
dated
R
EA
D
ME and
I
NSTALL files, added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
S
zilard Pall
Fixed typo in
C
M
a
keLi
s
ts
f
or
m
d
r
un-
g
pu
commit
|
commitdiff
|
tree
2010-05-30
Szil
a
rd Pa
l
l
OpenMM
:
added
co
m
bi
n
ation rule che
c
k, disabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pal
l
Fix
f
or MSVC linking and rele
a
se-
b
uild OpenMM p
l
ugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Sz
i
lard Pa
l
l
Fixe
d
some compiler warini
g
s, minor bugs
and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pa
l
l
Me
r
ge branch '
m
aster' of
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Sz
i
lard P
a
ll
f
ixe
d
the PME tolera
n
ce "adjustment" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Merge
branch '
m
aste
r
' of
git@git
.
gr
o
m
acs
.
o
r
g:gromac
s
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pa
l
l
Fix in
openmm
_
w
r
a
pper which makes it work w
i
th MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
fi
x
ed si
g
n
al handling in
md_openm
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
M
e
rge branch 'mast
e
r'
o
f git@git
.
gromacs
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
minor fixes
in documentation
+
some debugging cod
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
add
e
d os-speci
f
i
c
def
i
nes
f
ro
m
cmake re
q
uired by
memtestG8
0
commit
|
commitdiff
|
tree
2010-05-10
Szi
l
ard P
a
ll
MSVC fix
f
o
r gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard
P
all
o
n
ly issue openmm
co
n
s
t
rints w
a
rning
if cons
t
rainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
temp
o
rar
y
fix
f
o
r compilation
error w
i
th G
M
X
_
OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
M
e
r
g
e
branc
h
'maste
r
'
of gi
t
@
g
it
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ar
d
Pall
M
erge
branch 'master' of git@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
a
ll
added gromacs file hea
d
ers to the
O
penM
M
-related
fil
e
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
m
ino
r
fixes
,
do
c
u
m
e
ntation and slig
h
t API chang
e
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
mi
n
or updates t
o
FindG
i
t and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
r
d
Pal
l
upd
a
ted Fi
n
dCUDA to ver
s
ion from cmake 2
.
8
.
1
f
or CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pa
l
l
Me
r
ge b
r
an
c
h 'ma
s
ter'
of git@git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szil
a
rd Pall
doxygen commen
t
s for the
O
p
e
nMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
a
d
ded documentation for the openmm_wrappe
r
commit
|
commitdiff
|
tree
2010-04-16
Szilar
d
P
a
l
l
f
ormatting fi
x
of openmm wra
p
per - gromacsif
i
ed the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
rd Pa
l
l
cleaned up a bunch
op mess in do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
bugfix
fo
r
d
o_md_o
p
e
n
m
m - was always pulling da
t
a fro
m
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fixed t
i
mi
n
g bug in do_md_
o
pe
n
mm
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
a
rd Pa
l
l
added so
m
e more supported G
P
Us
(
high-
e
n
d mob
i
le an
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szi
l
ard P
a
ll
Merge br
a
nch 'mas
t
e
r'
o
f g
i
t@git
.
g
r
omacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-04-06
S
z
ilard Pall
no
w
g_bar
l
ooks for la
m
bda only in the la
s
t
directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pall
F
ixed g_bar bug in lam
b
da value pars
i
ng from path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilar
d
Pall
f
ixed gmxGenerateVersion
I
nfo
.
c
m
a
k
e to produce
8
digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
Pall
The cmake development information genera
t
ing works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szila
r
d Pall
added FindGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pal
l
fi
x
f
o
r
gmxGen
e
r
a
teV
e
rsionInfo
.
cmake, now works wi
t
h
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szi
l
ard Pall
fi
x
ed USE_VERSION_H Cmak
e
opti
o
n
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard Pal
l
Mer
g
e
branch
'
master' of
git@
g
it
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szil
a
rd
P
al
l
f
i
x
ed the pro
b
l
e
m of version
.
c not being bui
l
t
at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szila
r
d
P
all
added missing VERS
I
ON pre
f
ix to _
g
mx_ver_
s
tring
commit
|
commitdiff
|
tree
2010-03-16
S
zilard
P
all
fix for ge
n
v
ers
i
on
.
sh to
recognize the git:/
/
.
.
.
/gromac
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge branch 'master' of git@gi
t
.
gro
m
acs
.
org
:
gro
m
acs
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd Pall
Cma
k
e implementation t
o
g
e
nerate de
v
elopment build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szi
l
ard Pall
Fixed dea
d
l
o
ck occuring in gmx_fat
a
l
.
c: introduced
.
.
.
commit
|
commitdiff
|
tree