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fixed minor bug in openmm_wrapper.cpp
2010-06-17
S
zilard Pall
f
i
xed minor bug i
n
openmm_wra
p
per
.
c
pp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
Im
p
l
emented (bu
g
gy) g
c
c
4
.
1
.
x check in cmak
e
.
commit
|
commitdiff
|
tree
2010-06-10
S
z
ilard Pall
fixed warning
s
i
n
gmx_gpu
_
utils
and openmm_wrap
p
er
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
Merge
b
ranch 'master' of git@git
.
groma
c
s
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2010-06-10
Szila
r
d
Pall
fixed logging output in
do_md_openm
m
commit
|
commitdiff
|
tree
2010-06-03
Szilard
Pall
Merge branch
'
master' of git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard
P
a
l
l
Merge branch 'master' of git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-06-01
Szila
r
d Pall
fix
e
d OpenM
M
inte
r
action type check
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
minor fixes in ditribut
i
on files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Merge br
a
nch 'master' o
f
git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd Pa
l
l
Updated
REA
D
M
E
and
INSTAL
L
files, added
R
EADME
-
GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fixed
ty
p
o
in CMakeLists f
o
r
mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Sz
i
lard Pal
l
OpenMM:
a
d
d
ed combina
t
ion
r
ule
c
heck
,
disabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilar
d
P
all
Fi
x
for M
S
VC linki
n
g and releas
e
-
bui
l
d
OpenMM pl
u
gin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pall
F
ixe
d
s
o
me compiler warinigs, min
o
r
b
ugs and docum
e
ntation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard
Pall
M
e
rge branch 'mas
t
er
'
of git
@
git
.
gromacs
.
o
rg:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
fixe
d
the
P
ME to
l
erance "adju
s
tm
e
nt" for Ope
n
M
M
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Mer
g
e
branch
'master' o
f
git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pal
l
Fix in openmm_wr
a
ppe
r
which makes
i
t wo
r
k w
i
t
h
M
S
VC
.
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard
P
all
fixed
signal handling
i
n md_openmm
commit
|
commitdiff
|
tree
2010-05-12
S
z
il
a
r
d Pall
Merg
e
branch 'master'
of gi
t
@gi
t
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pal
l
mi
n
or
f
ixes in
d
ocumentation + some debuggi
n
g code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-specific de
f
ines from cmake req
u
ire
d
by memtestG80
commit
|
commitdiff
|
tree
2010-05-10
Szilar
d
Pall
MS
V
C f
i
x for g
m
x_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilar
d
Pall
only iss
u
e op
e
nmm constrints warning if const
r
ainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge
branch 'master' of git@git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
te
m
porary
f
ix for com
p
ilation err
o
r with
G
MX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge
b
ranch 'm
a
st
e
r' of git@
g
it
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilar
d
Pall
Merge
branch 'master' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
ad
d
ed g
r
omacs file head
e
rs to the Op
e
nM
M
-related
f
iles
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd
Pall
mino
r
fi
x
e
s
, documentation and slight API change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
minor updates to Find
G
it a
n
d FindOp
e
n
M
M
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
u
pda
t
e
d FindCUDA t
o
v
e
rsio
n
from
c
m
a
k
e
2
.
8
.
1 f
o
r C
U
DA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard
P
a
ll
Merge bra
n
ch 'master'
o
f
gi
t
@g
i
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-04-20
S
z
ilard Pall
d
o
xygen comments
f
or
the OpenMM p
a
rt
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
added documentation for
t
h
e openmm_w
r
app
e
r
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
formatting fix of openmm wrap
p
e
r
- gromac
s
ified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
zila
r
d Pall
c
l
eaned up
a bunc
h
op me
s
s in
d
o_md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
a
l
l
bug
f
ix f
o
r do_md_openmm -
w
a
s a
l
ways pulling da
t
a from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard Pall
fixed t
i
ming bug
in
do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
Pa
l
l
added some m
o
r
e
s
upported GPUs (high-end
m
obile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
M
e
r
g
e branch 'ma
s
t
e
r
' of git@git
.
gromacs
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
now g_bar looks for lambda only
in the last director
y
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilar
d
Pall
Fixed g
_
bar bug in lambda v
a
lue pars
i
ng
f
rom path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fixed gmx
G
ene
r
ateVersionInf
o
.
cmake to p
r
o
duce 8 digi
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pa
l
l
The cmake dev
e
lopment information
generat
i
ng works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
lard Pall
added F
i
ndGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
fix
f
or gmxG
e
n
er
a
teVersionInfo
.
cmake, no
w
works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
S
zilard Pall
fi
x
ed
U
SE_VE
R
SIO
N
_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szila
r
d P
a
ll
Mer
g
e branch 'm
a
ster' of
git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lard Pall
fixed
t
he
proble
m
of ve
r
sion
.
c n
o
t be
i
ng built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
z
i
l
ar
d
Pall
added
missing VERSI
O
N pre
f
i
x
t
o
_gm
x
_
ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd P
a
l
l
fix for genve
r
s
i
o
n
.
sh to rec
o
gnize the git:
/
/
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard P
a
ll
Merg
e
branc
h
'maste
r
' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilar
d
Pall
C
m
ake implementation to g
e
n
erate d
e
velopment
build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
F
i
xed
d
e
a
dlock occ
u
ri
n
g in gmx_fatal
.
c:
introduc
e
d
.
.
.
commit
|
commitdiff
|
tree