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fixed logging output in do_md_openmm
2010-06-10
Szilard Pall
fixed l
o
gging output in do_md_openmm
commit
|
commitdiff
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tree
2010-06-03
Szilard
Pall
Merge branc
h
'master'
of git@git
.
g
r
omacs
.
o
rg
:
groma
c
s
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pa
l
l
M
e
rge br
a
nch 'master' of git@git
.
grom
a
c
s
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
fixed Ope
n
MM inter
a
c
tion type c
h
eck
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
m
inor
f
ixes i
n
di
t
ribution files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merg
e
b
r
anch 'master'
o
f
git
@
git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d Pa
l
l
Up
d
ated README
a
n
d INSTALL files, added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
S
z
i
lard Pall
Fixed typo in CM
a
k
eLists
fo
r
mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
S
zilard P
a
l
l
OpenM
M
: a
d
de
d
combination rule check, dis
a
ble
d
r
est
r
a
i
nt
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilar
d
Pall
Fix fo
r
MSV
C
linking an
d
release-build
OpenMM plug
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilar
d
Pall
Fixed some compi
l
er warinigs, mi
n
or bugs and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard
Pall
Merge b
r
anch
'mast
e
r' of git@g
i
t
.
gromac
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-05-19
Szila
r
d
Pall
fixed t
h
e PM
E
tol
e
r
ance
"
adju
s
tment"
for OpenM
M
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Merge branch 'maste
r
'
of g
i
t@git
.
gro
m
ac
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
F
ix in
openmm_w
r
apper which
m
ak
e
s it work with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
S
zilard
Pall
f
i
x
e
d
s
ignal
h
andling in m
d
_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
Merge branch 'mas
t
er' of git@g
i
t
.
g
romacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
minor f
i
xes in documentati
o
n + some debuggin
g
code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pa
l
l
added os-
s
pecifi
c
de
f
ines
f
ro
m
cmake required
b
y memtestG80
commit
|
commitdiff
|
tree
2010-05-10
S
z
i
l
ard Pall
M
SVC
fi
x
for
g
m
x_par
a
llel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only issue openmm co
n
str
i
nts warni
n
g if constrains
t
a
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd
P
all
Merge branch 'master' of git
@
g
i
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
a
l
l
tempora
r
y fix
f
or co
m
p
ilation error with
G
MX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
r
d
P
a
ll
Merg
e
branch 'master' of git@git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
Me
r
ge bran
c
h 'master' of git@git
.
gro
m
acs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
added
g
romacs file h
e
aders
t
o
t
he OpenMM-
r
elat
e
d fi
l
es
commit
|
commitdiff
|
tree
2010-05-07
S
zila
r
d Pall
minor fixes, do
c
u
m
e
nta
t
ion a
n
d
s
light API cha
n
ge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lard
P
all
mino
r
updates to FindGit and Find
O
penMM
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
u
p
dated Fi
n
dCUDA to versi
o
n from cmake 2
.
8
.
1 f
o
r CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
S
zilar
d
Pall
Merge branch
'master
'
of
git@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-04-20
S
z
ila
r
d
P
a
ll
doxygen
c
omments
f
o
r
the OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
a
dded docume
n
t
ation
f
or the openmm_wra
p
per
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
formatting fi
x
of openmm
wrapper
- gromacsified
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard Pall
cle
a
ned up a
b
unch op
m
ess in do_md_op
e
nmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
bugfix for
d
o_m
d
_openmm -
w
as al
w
ays pulling data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fixed
timing bug
i
n
do_md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
all
added some more
s
u
pported
G
PU
s
(hig
h
-
e
n
d mobile
a
n
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Sz
i
lard P
a
ll
Merge b
r
anch 'master
'
o
f
git@
g
it
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szil
a
r
d
Pall
n
o
w g
_
bar lo
o
ks for lambda only in th
e
last
d
irect
o
ry
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pa
l
l
Fix
e
d g
_
ba
r
bug in lambda value
p
arsin
g
from p
a
th
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pal
l
fi
x
ed gmxGenerat
e
VersionInfo
.
cmake to produc
e
8 di
g
it
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
The cmake devel
o
pment
i
nformation gen
e
ratin
g
works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
added Find
G
it
.
c
m
a
ke s
c
ript
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
f
ix for gmxGenerat
e
VersionI
n
fo
.
cmake
,
n
o
w works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szi
l
ard
Pall
fixed
USE
_
VERSION_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
Merge b
r
anch 'mas
t
er
'
of git@git
.
g
r
omacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
la
r
d
Pall
fixe
d
the problem of version
.
c no
t
b
eing built a
t
t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
z
ilard Pall
a
d
d
ed missing VERSION prefix to _gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Sz
i
lard Pall
fix f
o
r gen
v
e
r
s
i
o
n
.
s
h to recog
n
ize the git://
.
.
.
/gro
m
acs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szi
l
ard P
a
l
l
Mer
g
e bra
n
ch 'master'
of git
@
git
.
g
r
o
macs
.
org
:
g
r
om
a
cs
commit
|
commitdiff
|
tree
2010-03-16
Szilar
d
Pall
Cmake
implemen
t
ation to gene
r
ate developmen
t
build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pa
l
l
Fixed deadlock occuring in
g
m
x_fatal
.
c: intr
o
duced
.
.
.
commit
|
commitdiff
|
tree