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Merge branch 'master' of git@git.gromacs.org:gromacs
2010-05-19
Szil
a
rd Pall
Merg
e
branch
'master' of
git@
g
i
t
.
grom
a
cs
.
o
r
g:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-19
Szilard
Pall
f
i
xed the PME tolerance "ad
j
ustment" for Op
e
nMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Mer
g
e branc
h
'master'
o
f git@git
.
gromacs
.
org
:
grom
a
cs
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
F
ix in openmm
_
wr
a
pp
e
r which makes
i
t
work with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
f
i
xed signal handling in
m
d
_openm
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard
P
all
Merge
b
ranch 'master' of gi
t
@git
.
groma
c
s
.
org
:
grom
a
cs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
m
in
o
r fixes
i
n documenta
t
ion + som
e
debu
g
ging co
d
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-
s
pecifi
c
defines f
r
om cmake required by memt
e
stG
8
0
commit
|
commitdiff
|
tree
2010-05-10
Sz
i
lard Pall
M
SVC fi
x
f
o
r gmx_parallel_3d
f
ft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szi
l
ard Pa
l
l
onl
y
issue openmm constrints warni
n
g if c
o
ns
t
rainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard Pall
Merge
branch 'mast
e
r' of git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
lard Pall
t
emporary fix for compilation error wit
h
GMX
_
O
PENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard
P
a
ll
Merge
b
ranch 'master' o
f
g
i
t
@gi
t
.
gr
o
macs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge
b
r
a
nc
h
'master' of git@git
.
g
r
omacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
added gromacs file headers to
t
he OpenMM-re
l
ated
f
iles
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard
Pall
minor fix
e
s
,
docu
m
ent
a
ti
o
n
a
nd s
l
i
ght AP
I
change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pa
l
l
minor updates to FindGit and Fin
d
O
p
enMM
commit
|
commitdiff
|
tree
2010-05-07
S
zil
a
r
d
P
a
l
l
update
d
FindCUD
A
to versio
n
from cmake 2
.
8
.
1
for C
U
D
A
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
la
r
d
P
a
l
l
Merge
b
r
anch
'
m
a
ster' of gi
t
@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
l
a
rd Pal
l
doxygen comments for the OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
S
z
ilard
P
a
l
l
added
documentatio
n
for
the o
p
enmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
S
zilard Pall
formatti
n
g fix of
openmm wrappe
r
-
gr
o
mac
s
i
f
ied
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
cle
a
ned up a
b
unc
h
op mess in do_
m
d_op
e
nmm
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
r
d
P
a
l
l
bugfix
fo
r
do_md_openmm - was always p
u
l
li
n
g data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
fixed timin
g
bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard Pall
added some more
s
upporte
d
GPUs (high-end mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard
P
all
Merge branch 'master'
o
f git@git
.
g
r
o
m
a
cs
.
org
:
gr
o
macs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
now g_bar
l
o
o
ks
for l
a
m
b
da onl
y
in
t
he last
d
irectory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilar
d
Pall
Fixed g
_
bar bu
g
in
lambd
a
va
l
ue parsing from path
.
commit
|
commitdiff
|
tree
2010-03-29
S
zilard Pa
l
l
fixed gmxGe
n
erateVersionInfo
.
cmake to produce 8
digi
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zilard Pall
T
he cmake development
i
nforma
t
i
o
n gener
a
tin
g
works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
i
l
ard Pall
added FindGit
.
cmake
script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
fix for gmxGener
a
teVers
i
on
I
nfo
.
cmake, now w
o
rks w
i
th
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed USE_VERSION_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szilard
Pall
Merge branch
'mast
e
r' of git@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
a
rd Pall
fixed the prob
l
em
o
f v
e
rsio
n
.
c not being buil
t
a
t
the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard
Pall
added m
i
ssing VERS
I
ON pref
i
x
to _
g
mx_ver_st
r
in
g
commit
|
commitdiff
|
tree
2010-03-16
Szilard
P
a
ll
f
i
x for genve
r
sion
.
sh to recognize the git:
/
/
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard P
a
ll
M
e
r
g
e br
a
n
ch 'master' of git@git
.
gromacs
.
or
g
:groma
c
s
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmak
e
implementation to generate development build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilar
d
Pall
O
p
e
nMM
b
uild
not de
p
en
d
ent on
fftw anymore
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fixed mdrun verbosity with OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szil
a
rd Pa
l
l
f
i
xe
d
a miss
i
n
g
comma
and a typ
o
in openmm_wr
a
pper
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Delete src/
k
ernel
/
do_md_openmm_nopat
c
h
.
h, it
'
s
not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
S
z
ilard Pall
M
i
nor clean
u
p, some rearrangaments, a
n
d commenting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilar
d
Pall
R
e
ve
r
ted stupid change in C
M
ale
L
ist
s
.
txt
commit
|
commitdiff
|
tree
2010-03-11
S
zilard Pall
Renamed md_openmm into ope
n
mm
_
w
r
app
e
r
,
and
d
o_md_openm
m
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixe
d
deadl
o
ck
o
ccurin
g
in gmx_fatal
.
c: intro
d
u
c
ed
.
.
.
commit
|
commitdiff
|
tree