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Fixed some compiler warinigs, minor bugs and documentation in the OpenMM code.
2010-05-26
Szilard
P
a
l
l
F
ixed some compiler warinig
s
, minor b
u
gs
and docu
m
en
t
ation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szil
a
r
d
Pall
Merge
branch '
m
aster' of gi
t
@
git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szilard
P
all
f
i
xed
t
h
e
P
ME tolerance "a
d
j
u
s
tmen
t
" fo
r
OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pal
l
Mer
g
e b
r
anch 'mast
e
r' of git@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-12
S
z
ila
r
d Pall
Fix
i
n
o
penm
m
_wrappe
r
w
h
ic
h
m
a
k
es it work with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
fixed signal handling in
md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pa
l
l
Merge branch
'
master' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
ila
r
d Pa
l
l
minor fixes
in do
c
umenta
t
ion +
som
e
debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
added os-sp
e
c
i
fic defines from
cmake required by
memtestG8
0
commit
|
commitdiff
|
tree
2010-05-10
S
z
i
lard Pall
MSVC fix for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only issue openmm constrints w
a
rning
i
f
c
ons
t
rainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
Mer
g
e branch
'
master' of gi
t
@gi
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
t
empor
a
ry f
i
x for compilation err
o
r
w
ith GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
a
ll
Merge
b
ra
n
ch 'master' of git@gi
t
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
Mer
g
e branch 'master' of git@
g
it
.
gromacs
.
o
r
g
:gromac
s
commit
|
commitdiff
|
tree
2010-05-07
S
z
il
a
rd
Pall
added gr
o
macs f
i
le
h
ea
d
ers t
o
the Op
e
nMM
-
r
e
l
a
t
e
d fi
l
es
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
min
o
r fixes
,
docum
e
nt
a
tion a
n
d sli
g
ht AP
I
c
hang
e
in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard Pall
m
i
nor
updates to FindGit and Fi
n
dOpenM
M
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
up
d
ated FindCUDA to
version from cmake 2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
S
z
ilard Pa
l
l
Merge
branch '
m
aster' of gi
t
@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
doxygen comments for
t
h
e
OpenMM pa
r
t
commit
|
commitdiff
|
tree
2010-04-16
Szi
l
ard Pall
a
d
ded
documentation for the openmm_w
r
app
e
r
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
formatting
fix
o
f openmm wrapper - gromacsified
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
a
ll
cleaned
u
p a
b
unch op mess in
do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
zilard P
a
l
l
bugfix f
o
r
d
o
_
m
d
_
openm
m
- was
a
lways pulling dat
a
from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard P
a
ll
fixed tim
i
ng bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
added some more support
e
d GPUs
(high-end
mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pal
l
Merge
b
ranch 'master' o
f
git@git
.
gromac
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-04-06
S
z
ilard Pall
now g_b
a
r l
o
oks for l
a
mbda only
in the las
t
directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szila
r
d
Pall
Fixed
g
_
b
ar
b
ug in lambda value
p
arsing from path
.
commit
|
commitdiff
|
tree
2010-03-29
Szi
l
ard
Pall
fixed gmxG
e
ne
r
ateVersion
I
n
fo
.
cmake to produc
e
8 di
g
it
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zi
l
ard Pall
The cmake devel
o
pment in
f
orm
a
tion generating
works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
lard Pall
add
e
d Find
G
it
.
cma
k
e
scri
p
t
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard Pall
f
i
x
for
g
mxGenerateVersion
I
nfo
.
cmake, now work
s
with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixe
d
USE_VERSION_H Cmak
e
option
commit
|
commitdiff
|
tree
2010-03-18
S
zilar
d
Pall
Merge bra
n
ch 'master' of g
i
t
@
git
.
g
r
omacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-18
Szila
r
d Pall
fixed the pr
o
blem
of version
.
c not
being
b
uil
t
at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
ad
d
ed missing VE
R
SION prefix to _gmx_ve
r
_string
commit
|
commitdiff
|
tree
2010-03-16
S
zilard Pall
fix for genversion
.
sh to recogn
i
z
e the
git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge
branc
h
'mast
e
r
'
of git@g
i
t
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake implementati
o
n to
ge
n
e
r
ate development build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
O
penMM build not dependent on
fftw anym
o
re
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
ard Pall
fi
x
ed mdrun
verbosity
with OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d Pall
fix
e
d a m
i
ss
i
ng comma a
n
d a
typ
o
in openmm
_
wrappe
r
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
ard
P
all
Delete src/ke
r
n
e
l/d
o
_
m
d_openmm_nopatch
.
h, it's
n
ot
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pal
l
Minor cleanup,
some rearrangam
e
n
ts, and comment
i
ng
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pal
l
R
e
verted stupid
c
hange in CMaleLists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Rena
m
e
d md
_
op
e
nmm into openmm_wrapp
e
r, and
d
o_md_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szila
r
d Pall
Fixe
d
deadloc
k
occuring in gmx
_
fatal
.
c: introd
u
ced
.
.
.
commit
|
commitdiff
|
tree