repo.or.cz
/
gromacs
/
rigid-bodies.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
fixed the PME tolerance "adjustment" for OpenMM
2010-05-19
Szilard Pall
fixed the PME
t
olerance "adjustme
n
t" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
Mer
g
e branc
h
'master' of
git@git
.
grom
a
c
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
rd Pall
Fix
in ope
n
mm_wrapper whi
c
h makes it work
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
fixed si
g
nal han
d
ling in md_open
m
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pal
l
Merge bran
c
h 'mas
t
er' of git@git
.
grom
a
cs
.
o
r
g:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-12
S
zilard
Pall
minor fixes in
d
o
cumentation + some
debugging code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
added
o
s-s
p
ecific
define
s
from c
m
ake req
u
i
r
e
d by memt
e
stG80
commit
|
commitdiff
|
tree
2010-05-10
S
zilard
Pall
M
S
VC fix for gm
x
_
parallel
_
3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szila
r
d P
a
l
l
only is
s
ue
o
penmm c
o
nstrints warning
i
f
cons
t
rainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch 'master
'
of git@
g
i
t
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard
Pall
tem
p
orary fix for compilat
i
on error with GMX
_
OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
Merge br
a
nch '
m
as
t
er
'
of git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pal
l
Merge b
r
an
c
h '
m
aster' of
g
it@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
added gromacs file he
a
ders to the OpenMM-relat
e
d f
i
les
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor fixes, documentation and s
l
ig
h
t API ch
a
n
ge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor updates to FindGit and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
updated FindCUDA to ve
r
s
ion fr
o
m cmake 2
.
8
.
1 for CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pal
l
M
erge branch 'master' of git@
g
it
.
gromac
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
d
oxygen
c
om
m
ents f
o
r the OpenMM pa
r
t
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
adde
d
documentatio
n
for the openmm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szila
r
d Pall
formatting fix of openmm w
r
a
pper -
g
romacsified the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
cleaned up
a
bunch op mes
s
in do_md_openm
m
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
bu
g
fix for do_md_ope
n
mm - was al
w
ay
s
pulling
d
ata from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fixed timing bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard
P
all
add
e
d
som
e
m
o
re
supporte
d
GPUs (
h
igh-end mobile a
n
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
S
z
i
l
ar
d
Pall
Merge
branch 'master' of git@gi
t
.
grom
a
cs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
now g_b
a
r
loo
k
s for
l
a
mbda only in
the las
t
dire
c
tory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szi
l
ard P
a
ll
Fix
e
d g_bar bug in
l
am
b
da value parsi
n
g from path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fi
x
e
d gmxGenerat
e
V
e
rsionInfo
.
cm
a
k
e
to produ
c
e 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard P
a
ll
The cmake dev
e
lopment informa
t
ion generating wor
k
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilar
d
P
a
ll
a
d
d
ed
F
indGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szil
a
rd Pall
fix for
g
m
xGene
r
ateVersionInfo
.
cmak
e
, now works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed USE_VERSI
O
N_H Cmake o
p
tion
commit
|
commitdiff
|
tree
2010-03-18
Szilar
d
Pall
Merge bra
n
ch 'ma
s
te
r
' of git@g
i
t
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
lard P
a
ll
fixed the pr
o
bl
e
m of version
.
c not
b
eing built at t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pa
l
l
adde
d
missin
g
VE
R
SION pr
e
fix
t
o _gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
fi
x
for
genversion
.
sh to r
e
cogn
i
ze the git://
.
.
.
/groma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merge branch
'
m
aste
r
' of git@gi
t
.
gro
m
acs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
C
m
ake implementation to generat
e
developme
n
t bui
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d Pall
OpenMM b
u
ild
n
o
t dependent
o
n fftw anymore
commit
|
commitdiff
|
tree
2010-03-11
Szilard
P
all
fixed mdrun
v
erbosity
w
ith Open
M
M
b
u
ild
commit
|
commitdiff
|
tree
2010-03-11
Szil
a
rd Pall
f
i
xed a missing comma and a typo in openm
m
_wrapper
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
ard Pall
Delete src/kernel/do_md_open
m
m_no
p
atch
.
h, it'
s
not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
M
i
nor
c
l
e
anup, some
rearrangaments, and comme
n
ting
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Re
v
erted stupid c
h
ange in CMaleLists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard
Pall
Renamed md
_
o
p
enm
m
i
n
to openmm_wrapper, and do_md_op
e
nmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard P
a
ll
Fix
e
d d
e
a
d
lock
o
ccuri
n
g in gmx_
f
atal
.
c: in
t
rodu
c
ed
.
.
.
commit
|
commitdiff
|
tree
