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Fixed some compiler warinigs, minor bugs and documentation in the OpenMM code.
2010-05-26
Sz
i
l
a
rd Pall
Fix
e
d
s
om
e
c
o
mpiler w
a
ri
n
ig
s
, m
i
nor
b
ugs and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szila
r
d Pall
Merge branch 'master' of
g
i
t@git
.
groma
c
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-19
Szilar
d
P
a
l
l
fixed
the PME tolerance "ad
j
ustment" f
o
r OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
M
e
r
g
e
branch 'master' o
f
git@git
.
gro
m
acs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Fix in openmm_wrappe
r
which makes i
t
work with
M
S
V
C
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pa
l
l
f
i
xed signal han
d
l
i
ng in md_open
m
m
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard Pa
l
l
Merge bran
c
h '
m
a
s
ter
'
of git@git
.
gromacs
.
or
g
:
gro
m
ac
s
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
minor fixes
i
n d
o
c
um
e
nta
t
ion + some debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard Pa
l
l
added os-specific defines from cma
k
e
req
u
i
r
ed by me
m
testG80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
MSVC fix for g
m
x_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szila
r
d
Pall
only issu
e
o
p
enmm constrints warnin
g
i
f const
r
ai
n
sta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch
'master' of git@git
.
groma
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
t
e
mpo
r
ar
y
fix
f
or compila
t
io
n
e
r
ror with GM
X
_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
Mer
g
e branch '
m
aster' of git
@
g
it
.
gr
o
ma
c
s
.
o
rg:
g
rom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard P
a
ll
M
e
rg
e
branch 'master' of git@g
i
t
.
grom
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
added
g
romacs
f
i
le headers
to the
O
penMM-relat
e
d fi
l
e
s
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
minor fixes, documentation and slight A
P
I chan
g
e in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
minor upda
t
es t
o
F
i
ndG
i
t
and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
updated FindCUDA to
v
ersion from cmake 2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
Merge branch 'master'
o
f git@git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
lard P
a
ll
doxygen co
m
ments fo
r
the OpenMM
part
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
added documentatio
n
for the openmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Sz
i
lard Pall
formatting
fi
x
of o
p
enmm wrappe
r
-
gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
c
leaned u
p
a bu
n
ch op mess in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
rd Pall
bugfix fo
r
do_md_openmm - was al
w
ays
pulling
data f
r
om
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard
Pa
l
l
fixe
d
timing bu
g
in do_md_open
m
m
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
a
ll
added some more sup
p
orted GPUs
(hi
g
h-end mo
b
ile a
n
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
Merge
b
r
a
nch 'ma
s
t
e
r'
o
f
gi
t
@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-04-06
S
z
i
lard Pall
now g_bar looks for lamb
d
a
only in
t
he last
d
irecto
r
y
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
S
z
ilard Pall
F
ixed g_ba
r
bug in lambda v
a
lue parsi
n
g fro
m
p
a
t
h
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard P
a
l
l
fixe
d
gmxGener
a
te
V
e
rsionInfo
.
cma
k
e to pr
o
duce 8 d
i
git
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
T
h
e
c
make development inform
a
tion
ge
n
erating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pall
added FindGit
.
c
m
ake script
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
lard Pall
f
i
x
fo
r
gmxGen
e
rateVe
r
sion
I
n
f
o
.
cmake, now
w
orks with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed USE_VERSION
_
H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szilard
Pall
Merge b
r
a
n
c
h
'master' of git@git
.
gr
o
m
a
cs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
f
ixed the problem
o
f
version
.
c
not bei
n
g bui
l
t at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
z
ila
r
d Pall
added missin
g
V
ERSION prefix
t
o _
g
m
x
_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pa
l
l
fix f
o
r genve
r
sion
.
sh to r
e
cognize
t
he git://
.
.
.
/g
r
omacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szi
l
ard Pall
M
e
rge
branch 'mas
t
er' of git@
g
it
.
groma
c
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake impl
e
mentati
o
n to ge
n
er
a
te development build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
lard Pall
OpenMM build not
d
ependent on fftw anymore
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fixed mdrun
verbosity with Op
e
nMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pa
l
l
fixed a missing comma and a typ
o
in openmm_wrapper
commit
|
commitdiff
|
tree
2010-03-11
Szil
a
rd Pall
Delete
s
rc/kernel/do_md_openmm_
n
op
a
tch
.
h, it's
n
o
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
all
Minor
c
lean
u
p, some rearrangaments, and commenting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Rever
t
ed st
u
pid cha
n
ge in CMal
e
Lists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Re
n
amed md_openmm into openmm_w
r
a
pper, and do_md_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
Fixed deadlock occ
u
ring i
n
gmx_fatal
.
c: introduced
.
.
.
commit
|
commitdiff
|
tree