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fixed minor bug in openmm_wrapper.cpp
2010-06-17
S
z
i
lard Pal
l
fixed minor
bug in open
m
m_wrapp
e
r
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard P
a
ll
Imple
m
e
n
ted (buggy) gcc
4
.
1
.
x check in c
m
ake
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
f
ixed warn
i
ng
s
in g
m
x_gpu_uti
l
s and ope
n
mm_
w
rapp
e
r
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pa
l
l
Merge bra
n
ch 'master'
o
f git@git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fixed loggin
g
output in do_md_openm
m
commit
|
commitdiff
|
tree
2010-06-03
Szilard P
a
ll
Me
r
ge b
r
anc
h
'maste
r
'
of git@git
.
gromacs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2010-06-01
S
zilard Pall
Merge br
a
n
ch '
m
as
t
e
r
'
of gi
t
@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
S
zilard Pal
l
f
ixed Ope
n
MM interac
t
ion type che
c
k
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d Pall
minor fixes
i
n ditribut
i
o
n
f
iles
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Mer
g
e
branch 'master' of git
@
g
it
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Updated README an
d
INSTALL f
i
les, added
R
EADME-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fixed typo in CMakeLists for mdrun-g
p
u
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
OpenM
M
:
a
dded combination rule check, dis
a
bled r
e
str
a
int
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilar
d
Pall
F
i
x for MSVC
linking and
r
e
lease-bui
l
d Open
M
M
p
lugi
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
S
z
ilard Pall
Fixed
so
m
e
c
ompiler warinigs, minor
b
ugs and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Merge branch 'ma
s
ter' of git@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szil
a
rd Pall
fixed t
h
e PME tol
e
rance
"
a
djus
t
ment" fo
r
Op
e
nM
M
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Me
r
ge branch
'master' o
f
git@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
a
rd Pall
F
i
x
in open
m
m_wr
a
pper which
makes it work wi
t
h
MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard Pall
f
i
xed signal
h
andling
in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilard
P
all
Merge bra
n
ch
'
m
a
ster' of
g
it@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
z
i
lard
P
all
m
i
nor fixes in documentation + som
e
debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added os-s
p
ecifi
c
d
e
fines f
r
om cm
a
ke re
q
ui
r
ed by
m
emtes
t
G8
0
commit
|
commitdiff
|
tree
2010-05-10
Szilard
Pall
MSVC fix f
o
r gmx_para
l
l
e
l_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard
P
a
ll
only issu
e
openmm
constrints wa
r
ning
if constr
a
i
n
sta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
M
e
rge
b
r
a
n
ch
'master' of git@git
.
g
r
omacs
.
org
:
g
rom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
S
z
il
a
rd Pall
temporary fi
x
for compilation error with GM
X
_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pa
l
l
M
e
rge br
a
nch '
m
a
s
ter' of
g
i
t@gi
t
.
groma
c
s
.
o
r
g:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
il
a
rd Pall
Merge
branch 'mas
t
er' o
f
git@git
.
g
romac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard P
a
ll
added
g
romac
s
file
h
eaders
t
o the OpenMM-r
e
lated
f
il
e
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor fixes,
d
ocumen
t
ation and sl
i
gh
t
API c
h
a
n
ge
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
mino
r
updates
t
o FindGit and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
updated FindCUDA to version from cmake
2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard P
a
ll
Mer
g
e branch 'maste
r
'
o
f git@git
.
gromac
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard P
a
ll
d
oxygen comment
s
for t
h
e OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
a
d
de
d
documentation for th
e
ope
n
mm
_
wrapper
commit
|
commitdiff
|
tree
2010-04-16
S
z
il
a
rd Pal
l
formatting fix of open
m
m wrapper
-
g
r
omacs
i
fied t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
cleaned
u
p a bun
c
h
op
m
ess
i
n
d
o
_
md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szil
a
rd Pal
l
bu
g
fix for do_md
_
openmm - wa
s
alwa
y
s
pulling data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard P
a
l
l
fi
x
ed timing b
u
g in do_md_o
p
enmm
commit
|
commitdiff
|
tree
2010-04-13
S
zi
l
ard Pa
l
l
added some more supp
o
rted GPUs (high-e
n
d
m
obi
l
e and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
M
e
r
g
e bran
c
h
'mast
e
r' of git@git
.
g
r
om
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
now g_bar
looks for
l
am
b
da only in the last dire
c
tory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilar
d
Pa
l
l
Fi
x
ed g_bar bug in lambda value parsing fr
o
m
p
ath
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fixed gmxGe
n
e
r
at
e
Versio
n
Info
.
cmake to
produce 8 dig
i
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szila
r
d Pall
The cmake developmen
t
inform
a
tion
g
e
n
erating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
zilard P
a
l
l
ad
d
ed
F
indGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilar
d
Pall
fix for
gmx
G
enerateVer
s
ionInfo
.
cmake, now wo
r
k
s
with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Sz
i
l
ard
P
a
ll
fixed USE_VE
R
S
I
O
N_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szi
l
ard Pa
l
l
M
e
rg
e
b
r
a
n
ch 'master' of git@git
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fixed the prob
l
em of version
.
c not be
i
ng built
a
t
t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pa
l
l
added mi
s
sing VERSION
p
re
f
i
x to _
g
mx_ver
_
string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pa
l
l
fi
x
fo
r
g
e
nversio
n
.
s
h
to recogniz
e
the
git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge br
a
nch 'master' of
g
it@git
.
gr
o
macs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-03-16
Szilard
P
all
Cmake impl
e
mentation to generate deve
l
o
p
men
t
build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
S
zilard
P
all
Open
M
M build not depende
n
t on fftw anymore
commit
|
commitdiff
|
tree
2010-03-11
S
z
ilard Pall
f
i
x
e
d mdrun
ve
r
bosity with O
p
e
n
M
M
build
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
f
i
xed a missing c
o
mma and a t
y
p
o
i
n
ope
n
mm_wrap
p
er
commit
|
commitdiff
|
tree
2010-03-11
S
zilar
d
Pall
Dele
t
e s
r
c/kernel/do
_
md
_
openmm_no
p
atc
h
.
h, it's no
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Minor cleanup
,
s
ome rearra
n
gamen
t
s
,
and
c
o
m
m
e
nting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
R
e
verted stup
i
d change in CMaleLists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Rename
d
m
d_openmm into openmm_wrapper, a
n
d do_
m
d_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard P
a
ll
Fi
x
ed deadloc
k
occuring in gmx
_
fatal
.
c: introduced
.
.
.
commit
|
commitdiff
|
tree