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Merge branch 'release-4-5-patches' of git://git.gromacs.org/gromacs into release...
2010-08-31
Szilard Pall
Merge b
r
a
n
c
h
'release-4-5-patc
h
es' of
gi
t
:/
/
git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
i
lard Pa
l
l
Improved
o
ption disabling
o
n
s
witching
t
o OpenMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
zilar
d
Pall
fi
x
e
d
/improved cmak
e
FFTW
3
detectio
n
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
m
i
n
o
r addition to prev
i
us
g
cc 4
.
1
.
x
disabling comm
i
t
commit
|
commitdiff
|
tree
2010-08-03
S
zi
l
ard Pall
R
emov
e
d gcc
4
.
1
.
x c
h
eck as b
u
g 431 turned
o
ut
t
o be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
additiona
l
f
i
x to c
o
mmit c5d62af07d01b8, n
o
w libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szi
l
a
rd Pall
Merge
bra
n
c
h
'
master' of git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pal
l
cmake support
f
or user-de
f
ined binary prefixes, custom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
Merge
b
ranc
h
'
m
aster' of git@git
.
gromacs
.
o
r
g
:
gro
m
acs
commit
|
commitdiff
|
tree
2010-06-20
Szila
r
d
Pall
Fixed G
C
C
v
ersion ch
e
cking in c
m
ake
commit
|
commitdiff
|
tree
2010-06-17
Szi
l
a
rd Pall
Merge
b
ranch 'master
'
of
g
it@git
.
g
r
omacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
all
fixed mino
r
bug in openmm_wrapper
.
c
p
p
commit
|
commitdiff
|
tree
2010-06-17
S
z
ilard Pall
I
mplemented (bu
g
gy) gcc
4
.
1
.
x c
h
eck in cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pal
l
fixed warnings in gmx
_
g
p
u
_utils a
n
d openmm_wra
p
per
commit
|
commitdiff
|
tree
2010-06-10
Sz
i
l
ard
P
all
Merge bran
c
h 'master' of git@git
.
gromacs
.
or
g
:g
r
omac
s
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fix
e
d logging output in do_md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard
P
all
Merge
branch 'm
a
ste
r
' o
f
git@gi
t
.
g
r
omac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard P
a
ll
Me
r
ge branch 'master' of gi
t
@git
.
groma
c
s
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard
Pall
fixed OpenMM in
t
e
raction
ty
p
e
c
h
e
ck
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pa
l
l
m
inor f
i
xes in d
i
tribution
f
iles
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Merge branc
h
'master' of git@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
ar
d
Pall
Up
d
ated README an
d
INST
A
LL f
i
l
e
s, added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pa
l
l
Fixe
d
typo in CMak
e
L
i
sts for m
d
run-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Ope
n
MM: added combina
t
ion rule che
c
k
, disabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Fix
f
or MSVC linking a
n
d releas
e
-buil
d
OpenMM plu
g
in
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard
P
all
Fixe
d
some compile
r
warinigs, minor bugs and docu
m
entation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szila
r
d Pall
Me
r
ge branch 'master
'
of git@git
.
g
r
omacs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-05-19
Szila
r
d Pall
fixed the PME tolerance "adjustment" for Op
e
nMM
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard Pall
M
e
rge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard Pall
Fix i
n
open
m
m_wrapper
which ma
k
es it work
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
f
i
xe
d
s
i
gnal
h
a
n
dling in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
S
z
ilard Pall
Merge bran
c
h 'm
a
ster' of git@git
.
gro
m
acs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd
P
all
minor fi
x
es in
d
ocumentatio
n
+
som
e
d
e
bugg
i
ng co
d
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
ad
d
e
d
os-specifi
c
de
f
ines fro
m
cmake required by memtestG80
commit
|
commitdiff
|
tree
2010-05-10
Szilard
Pall
MSV
C
f
i
x fo
r
gmx_par
a
llel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only
i
s
s
ue openmm constrints warning
i
f con
s
trainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd P
a
ll
Merg
e
branch 'm
a
ster' of gi
t
@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
tem
p
orary fix for co
m
pilati
o
n error with GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
Merge branch 'mast
e
r' of
git@git
.
g
romacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
l
ar
d
Pall
M
e
rge
branch 'm
a
st
e
r' of g
i
t@git
.
gro
m
acs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
added gromacs file h
e
aders
t
o
th
e
O
p
enMM-related files
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
m
i
nor fi
x
es, documentation and
s
light A
P
I change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
mino
r
update
s
to
FindGit
a
nd FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pall
u
p
date
d
Fin
d
CUDA t
o
ve
r
sion from
cmake 2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard
Pall
Merge branch 'ma
s
ter' of g
i
t
@
git
.
g
r
oma
c
s
.
org
:
gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pal
l
doxyg
e
n
c
o
m
me
n
ts for t
h
e OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szilar
d
Pall
a
dded
d
ocume
n
tation
f
or the openmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szil
a
rd
P
all
formatting fix
o
f op
e
nmm w
r
apper -
gromacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
cleaned up a bunch op mess in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
bugfix for do_m
d
_ope
n
mm -
was always pulling
d
a
ta from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fixed timing bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
zila
r
d Pall
a
dd
e
d
some more supported GPUs (
h
igh-en
d
mo
b
ile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szila
r
d Pall
Merge bran
c
h
'master' of
git@g
i
t
.
grom
a
cs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-04-06
S
zilard Pall
n
ow g_
b
ar
looks for lambda only in the la
s
t d
i
rectory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pall
Fixed g_bar
b
ug in lambda value parsing
f
rom path
.
commit
|
commitdiff
|
tree
2010-03-29
S
z
ila
r
d P
a
ll
fixed gmx
G
enerateVe
r
sionInfo
.
cma
k
e to produce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
T
he cmake devel
o
pment i
n
formation generating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard P
a
l
l
added FindGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szi
l
ard Pall
fix for gmxGenerateVersionInfo
.
cm
a
ke
,
n
o
w works w
i
th
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilar
d
Pall
fixed
U
S
E_VERSION_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
Me
r
ge bra
n
ch 'master'
o
f
g
it@git
.
gr
o
macs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-03-18
Szil
a
rd Pall
fix
e
d the proble
m
of version
.
c not being
b
u
i
lt at t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
z
i
l
ard Pall
added missing VER
S
ION prefix to
_gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilard P
a
ll
fix for ge
n
versi
o
n
.
s
h to rec
o
gniz
e
the git:
/
/
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szil
a
rd Pall
Merge branch
'master' of git@git
.
grom
a
cs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
C
mak
e
implementation
to
gene
r
ate developm
e
nt b
u
ild
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilar
d
P
all
Fixed deadlock occuring in g
m
x
_
fat
a
l
.
c: introduc
e
d
.
.
.
commit
|
commitdiff
|
tree