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Fixed some compiler warinigs, minor bugs and documentation in the OpenMM code.
2010-05-26
Sz
i
lard Pall
Fixed som
e
compil
e
r warin
i
g
s, minor bugs and docum
e
n
tat
i
on
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
S
z
ila
r
d Pall
Merge
br
a
nch 'master' of
git@g
i
t
.
grom
a
c
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-19
S
z
ilard
Pall
f
i
xed the PME tolerance "adjustment" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d
Pall
M
e
r
g
e branch 'master' of git@
g
i
t
.
gr
o
macs
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d Pall
F
i
x in
o
p
enmm_wra
p
p
e
r which ma
k
es it work
with M
S
VC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
fixed signal handl
i
ng
in md_open
m
m
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard P
a
ll
M
e
rge branch '
m
aster' of
g
i
t@git
.
g
r
o
m
acs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
minor fixes in documentatio
n
+ some debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-specific defines from cmake required
b
y
m
e
m
t
e
stG80
commit
|
commitdiff
|
tree
2010-05-10
Szil
a
rd Pa
l
l
MSVC fix fo
r
gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
onl
y
i
s
su
e
openmm const
r
ints wa
r
ning i
f
constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
a
r
d Pall
Me
r
ge
b
r
anch 'mast
e
r'
of
g
it@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pa
l
l
temporary fix for comp
i
lation error with
G
MX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
Merge bran
c
h 'm
a
ster' of git@git
.
gr
o
macs
.
o
r
g:
g
romacs
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pal
l
Mer
g
e
br
a
nch '
m
a
s
ter' of git@
g
it
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
added gromacs file headers to the OpenMM-relat
e
d
f
iles
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
minor
fixes, documenta
t
ion and sli
g
ht API cha
n
ge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor
u
pdates to F
i
ndGit and F
i
ndOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
update
d
FindCUDA to version from cmake 2
.
8
.
1 for
CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Sz
i
lard
P
all
Mer
g
e branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
d
ox
y
gen comments for the O
p
e
n
MM part
commit
|
commitdiff
|
tree
2010-04-16
S
z
i
lard Pal
l
added
d
ocumentation for th
e
open
m
m_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
formatting fix of op
e
nmm wrapper
-
groma
c
sified
t
he
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
cleaned
up a
b
u
n
ch op m
e
ss i
n
do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard Pall
bugfix for do_md_openmm - was alway
s
pulling data
f
rom
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
zilard Pall
f
ixed timing bug in do_
m
d
_
o
penmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pa
l
l
added some more supported GPUs (
h
igh-
e
nd mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
M
erge branch 'master'
of
g
it@g
i
t
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-04-06
Szi
l
ard Pall
now g_
b
ar lo
o
ks for lamb
d
a only in the las
t
d
i
rectory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
S
zilar
d
Pall
Fixed g_bar
bug in
lambda value p
a
rsing f
r
o
m path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pa
l
l
fixed gm
x
GenerateVersionInfo
.
cmake to produ
c
e 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
The cmake de
v
elopment informa
t
ion gener
a
ting wo
r
ks
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
a
d
ded FindGit
.
c
make script
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard
P
a
l
l
f
i
x
for g
m
x
Gen
e
r
ateVersionInfo
.
c
m
a
ke, n
o
w works
w
i
t
h
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
S
z
i
l
ard Pall
f
ixed USE_V
E
RSIO
N
_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lard Pall
M
er
g
e branch 'mas
t
er'
o
f git@g
i
t
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fixed t
h
e
p
roblem o
f
v
e
rsion
.
c not be
i
ng built at th
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard
P
all
ad
d
ed missing VERSI
O
N prefix to _gmx_ve
r
_
s
tr
i
n
g
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
fix fo
r
ge
n
v
e
r
s
io
n
.
s
h
t
o recognize
the git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge bran
c
h 'mast
e
r' of
g
it@g
i
t
.
gromacs
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2010-03-16
S
zi
l
ard Pall
Cmake im
p
lementat
i
on to generate de
v
e
l
o
pm
e
nt build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
F
i
xed de
a
dlock
o
ccu
r
ing
in g
m
x_fatal
.
c: intr
o
duced
.
.
.
commit
|
commitdiff
|
tree