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Merge branch 'master' of git@git.gromacs.org:gromacs
2010-05-31
S
zilard Pall
Merge
b
ranc
h
'master'
o
f git@g
i
t
.
groma
c
s
.
o
r
g:gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Updated
R
EADME and INS
T
ALL
f
iles, a
d
d
e
d README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Fixed typo
i
n CMakeLists f
o
r
md
r
un-gp
u
commit
|
commitdiff
|
tree
2010-05-30
Szila
r
d Pall
Open
M
M
:
a
dded combi
n
a
tion rule check, disa
b
led restra
i
n
t
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szil
a
r
d Pall
Fix
f
o
r
M
SVC linkin
g
and
release-
b
uild Ope
n
MM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szila
r
d Pall
Fixed som
e
c
ompiler war
i
nigs, minor bugs
a
nd
d
ocumen
t
ation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szil
a
rd Pall
Mer
g
e branch 'maste
r
'
o
f git@git
.
g
ro
m
a
c
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilar
d
Pall
f
i
xed the P
M
E
t
o
l
era
n
ce "a
d
j
ustm
e
nt"
f
or Ope
n
MM
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Merge bran
c
h
'
master' of git@git
.
g
ro
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard Pall
Fi
x
in o
p
enmm_wrapper which
mak
e
s it work with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ar
d
Pall
fixe
d
signal hand
l
in
g
in md_openm
m
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard
P
a
ll
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
min
o
r fixes in d
o
cu
m
entati
o
n
+ s
o
me debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard Pall
a
dd
e
d
os-speci
f
ic
d
efines
f
r
om
cmake required by
m
emt
e
s
t
G80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
MSVC fix for gmx_
p
arallel_
3
dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szi
l
ard Pall
o
nly
is
s
ue openmm cons
t
rints warning
if constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard P
a
ll
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pa
l
l
tempora
r
y
f
i
x
f
or compilation erro
r
with GMX
_
OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pa
l
l
Merge b
r
anch 'master' of gi
t
@git
.
g
romacs
.
org:
g
roma
c
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge bran
c
h 'master' of git@g
i
t
.
g
r
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
added g
r
omacs file headers to the OpenMM-related files
commit
|
commitdiff
|
tree
2010-05-07
Szila
r
d P
a
ll
m
inor fixes, doc
u
m
entation
and slight
API c
h
ange in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
zilard
P
al
l
m
inor updates
to Fi
n
dGit and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
P
a
l
l
u
pdated FindC
U
DA to versio
n
from cmake 2
.
8
.
1 fo
r
CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard
Pall
Merge
branch
'mas
t
er'
o
f
git@g
i
t
.
gromacs
.
org:g
r
omac
s
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
lar
d
P
a
ll
d
o
xygen com
m
ents for the OpenM
M
part
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
add
e
d docum
e
n
t
ation for the op
e
nmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard P
a
ll
forma
t
ting fix of openmm wrapper - gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
al
l
cleaned up a bunch op
me
s
s in do_m
d
_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
bugfix for
d
o_md_
o
penm
m
- was a
l
ways pullin
g
d
a
t
a
from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
r
d
P
all
fixed ti
m
ing bug
i
n
do_md_open
m
m
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
added som
e
m
ore
supported GPUs
(
h
igh-end mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
Merge b
r
anch 'mast
e
r'
o
f git@g
i
t
.
gromacs
.
org
:
g
r
o
macs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
no
w
g_bar looks f
o
r lambda o
n
ly in the last
d
irector
y
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard
Pa
l
l
Fix
e
d g_bar bug in
lambd
a
value
pars
i
n
g f
r
om
p
ath
.
commit
|
commitdiff
|
tree
2010-03-29
S
zil
a
rd Pa
l
l
fixed gmxGenera
t
eVer
s
ionInf
o
.
cm
a
ke t
o
p
rod
u
ce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
Th
e
cmake dev
e
l
opm
e
n
t i
n
f
or
m
ation gen
e
rating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
add
e
d FindGit
.
cmak
e
script
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
lard
P
al
l
fi
x
for gmxGenerateVer
s
i
onInfo
.
cmake, now works
with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szil
a
rd
Pa
l
l
fixed USE_V
E
RSION
_
H Cm
a
ke option
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pal
l
Merge branch
'
master' of git@git
.
gromacs
.
org:gr
o
m
a
cs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fi
x
ed
t
he problem o
f
version
.
c
not being
bu
i
l
t
at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard
P
all
adde
d
m
i
s
s
ing VERSION prefix to _gmx
_
ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szi
l
ard Pall
fix f
o
r genv
e
rsio
n
.
sh t
o
recognize the git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
S
z
i
lard Pall
Merg
e
br
a
nch 'master' of g
i
t
@
git
.
groma
c
s
.
o
rg:gromac
s
commit
|
commitdiff
|
tree
2010-03-16
Sz
i
lard Pall
Cmake imp
l
e
mentation t
o
generate devel
o
pment build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilar
d
Pall
OpenMM build not dependent on fftw anymore
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
all
fixed mdrun verbos
i
t
y
w
ith
OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fixed a missing comma and a typ
o
in ope
n
mm_
w
r
app
e
r
commit
|
commitdiff
|
tree
2010-03-11
S
z
ilard Pall
De
l
ete src/kernel/do_md_openmm_nopatch
.
h, it's not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
all
M
i
nor
c
leanup,
s
ome
r
e
a
r
r
a
n
g
ament
s
, an
d
com
m
e
n
ting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pal
l
R
e
verted stupid
ch
a
n
g
e
i
n
CMaleLis
t
s
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d
Pall
Renamed m
d
_openmm into openmm_
w
rapper,
a
nd do_md_o
p
enmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixed deadlock occuring in gmx_fa
t
al
.
c
: in
t
roduced
.
.
.
commit
|
commitdiff
|
tree