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
improved option compatibility checking with OpenMM
2010-10-05
S
z
ilard Pall
improved optio
n
co
m
pa
t
ibi
l
ity ch
e
cking with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
S
zila
r
d
Pal
l
make
i
ns
t
all-mdrun n
o
w ins
t
alles shared
libs (
f
ix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard Pall
FindFFT?[F] scripts can use a
pa
t
h provided in FF
T
Wx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed binary/lib
s
uffixin
g
in
c
onsi
s
ten
c
ies
(bug
539)
commit
|
commitdiff
|
tree
2010-09-07
Szilar
d
Pall
fixed warnings caused by s
o
me
u
n
i
n
itialized
v
a
r
iables
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
M
ark a
d
vanced
v
ar
i
ables/options t
h
at are not r
e
levant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szi
l
ard
P
all
Mark advance
d
GMX_
B
INARY_SUFFIX and GMX_LIBS_
S
UFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard Pall
U
p
dated list of s
u
pport
e
d GPU
s
commit
|
commitdiff
|
tree
2010-08-31
S
z
ilard Pal
l
Merge
branch 'release-4-5
-
patc
h
e
s
'
of gi
t
://git
.
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Improved option disabling on switchin
g
to
O
penMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pa
l
l
fixed/im
p
roved cmake
FFTW3 dete
c
t
i
o
n
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
mino
r
additi
o
n
to previus gcc 4
.
1
.
x disab
l
ing com
m
it
commit
|
commitdiff
|
tree
2010-08-03
Sz
i
lard Pall
Remo
v
ed
gcc 4
.
1
.
x
check as bug 431
turned
ou
t
t
o
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szi
l
a
r
d Pall
ad
d
itional fix to commit
c5
d
62af07
d
01b
8
,
n
ow l
i
bmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilard P
a
ll
Merge branch 'master' of git@git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-24
Szilard Pall
cmake
s
u
pport for
user
-
defined binar
y
p
r
efixes, custom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
M
erge bra
n
ch '
m
a
s
ter' of git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szi
l
ar
d
P
a
ll
Fixe
d
GC
C
ve
r
sion checking i
n
cmake
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
all
Merg
e
b
r
anch 'master' of git@git
.
g
r
omacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-17
Szil
a
rd Pall
fixed minor bug in open
m
m
_wr
a
pper
.
c
pp
commit
|
commitdiff
|
tree
2010-06-17
Szilar
d
P
a
ll
Implem
e
nted
(
buggy)
gcc 4
.
1
.
x chec
k
in cmake
.
commit
|
commitdiff
|
tree
2010-06-10
S
z
il
a
rd Pal
l
fixed warnings in gmx_g
p
u_utils and openmm_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
Merge branc
h
'm
a
st
e
r'
o
f git@git
.
g
r
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-10
Szilar
d
Pall
fi
x
ed
log
g
ing
output in do_md_openmm
commit
|
commitdiff
|
tree
2010-06-03
Szilard Pall
Mer
g
e branch 'ma
s
ter' of
git@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Mer
g
e branch 'master' of git@gi
t
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pa
l
l
fix
e
d OpenMM interactio
n
typ
e
ch
e
ck
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
min
o
r
fix
e
s
i
n ditribution file
s
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merge branch 'master' of
g
it@git
.
gromacs
.
o
rg:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-31
Szilar
d
Pal
l
Updated REA
D
ME and INSTALL files, added REA
D
ME-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Fixed typ
o
in CMakeLists for mdrun-gp
u
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Ope
n
MM: added combina
t
ion rule
c
heck,
d
i
sabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard P
a
ll
Fix for M
S
VC linki
n
g and
release-bu
i
ld Op
e
nMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pal
l
Fixed some
c
ompiler warinig
s
, minor bugs and documentat
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
S
z
ilard Pall
Merge bra
n
ch 'm
a
ster' of git
@
gi
t
.
gromacs
.
o
r
g:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
f
ixed the PME toler
a
nce "adjus
t
ment" for O
p
enMM
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
M
e
r
g
e
b
ranch 'master' of
g
it@git
.
grom
a
cs
.
org
:
gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-05-12
Szi
l
ard P
a
ll
Fix in open
m
m
_
w
rapper which m
a
kes it work
w
ith MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
f
i
xed signa
l
handling in md_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
m
i
n
o
r fixes in
d
o
cumentation +
s
ome
d
ebugging
code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
added os-specific defines from cma
k
e required by memtestG80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
MSVC
fix for g
m
x
_
paral
l
el_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard
P
all
o
nly issue openmm c
o
nstrints warning if constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pall
Merge
bran
c
h
'
master
'
of git@git
.
gromacs
.
org:
g
ro
m
a
c
s
commit
|
commitdiff
|
tree
2010-05-07
Szilard
P
all
temporar
y
fix for compilation error wit
h
GMX_OPENMM=ON
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge bra
n
ch 'mas
t
er'
of git
@
g
i
t
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
Szilard P
a
ll
M
erge bra
n
ch 'mas
t
e
r' of
g
it@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
z
i
l
ard Pall
adde
d
gromacs
file headers
t
o
t
h
e O
p
enMM-rela
t
ed files
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pal
l
min
o
r fi
x
es, docum
e
n
t
ation
a
nd sligh
t
API change in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pa
l
l
minor updates to Find
G
it
and FindOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
updated F
i
ndCU
D
A t
o
vers
i
on from cmake 2
.
8
.
1
f
o
r
CUD
A
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pa
l
l
Me
r
ge branch 'master' of gi
t
@git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
doxygen comments for
t
he Op
e
nMM p
a
r
t
commit
|
commitdiff
|
tree
2010-04-16
Szila
r
d Pall
a
dde
d
d
o
cumentation for the openmm_wrapp
e
r
commit
|
commitdiff
|
tree
2010-04-16
Szila
r
d
P
all
formatt
i
ng
f
ix of o
p
enmm wrap
p
er - gromacs
i
fied the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
cleaned up a bunch op mes
s
in do_
m
d_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
ilard Pall
b
u
gfix for do_
m
d_ope
n
mm
- was always pullin
g
data f
r
om
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard P
a
ll
fixed tim
i
ng bug in
do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
added some m
o
re
suppo
r
ted G
P
Us (high-end m
o
bile
a
n
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
S
z
il
a
rd Pall
Merge
branc
h
'
m
aster' of gi
t
@git
.
gr
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
n
o
w g
_
bar
l
ook
s
fo
r
lambda only in the
l
ast directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pall
Fixed g_bar bug
i
n l
a
mbda valu
e
parsing from
path
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fixe
d
gmxGenerateVersionI
n
f
o
.
cmak
e
to
p
roduce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard P
a
ll
The cmake
development info
r
mation
genera
t
ing works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
ad
d
ed FindGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
fix for
g
m
xG
e
n
e
rateV
e
rsionInfo
.
cmake, now wor
k
s
wit
h
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
fixed
U
S
E_VERSION_H Cmake option
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
Merge b
r
anc
h
'master'
o
f g
i
t@git
.
g
r
omacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
f
i
xed the problem of
version
.
c not being built at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
zilard Pall
added missing VERS
I
O
N
pref
i
x t
o
_gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
f
ix for
genversion
.
sh
to reco
g
nize
t
he git://
.
.
.
/
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szila
r
d Pal
l
Merge branc
h
'master' of git@git
.
gromacs
.
o
r
g:gro
m
a
cs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Cmake im
p
lementation to gen
e
rate
development build
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard
P
all
Fixed dea
d
lo
c
k occuring in gmx_fatal
.
c: intro
d
uced
.
.
.
commit
|
commitdiff
|
tree