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minor fixes in ditribution files
2010-05-31
Szilard
Pall
m
inor f
i
xes in ditributi
o
n files
commit
|
commitdiff
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tree
2010-05-31
Szilard Pall
Mer
g
e branch 'master' of git@git
.
groma
c
s
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Updated R
E
ADME and INSTALL files, added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szila
r
d
Pall
Fixed
typo in CMake
L
ists for mdrun-
g
pu
commit
|
commitdiff
|
tree
2010-05-30
Szilard
P
all
OpenMM: added combinati
o
n ru
l
e check, di
s
abled re
s
traint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szilard
P
all
Fix for MSV
C
linking
a
nd re
l
ease-build OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard
P
a
ll
Fixed some
c
ompiler warinigs, mi
n
or bugs and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
S
z
ilard
P
all
Mer
g
e b
r
anch
'
ma
s
ter' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
S
z
ilard Pall
fixed the
P
M
E tolerance "
a
djustment" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
la
r
d Pa
l
l
M
e
rge branch 'master' of git@
g
it
.
gromacs
.
or
g
:
gromacs
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lar
d
Pall
Fix in openmm_wrapper whic
h
makes it work
w
i
th MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d Pall
fixed si
g
nal
h
an
d
ling in md_ope
n
mm
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
M
erge branch
'
m
aster'
o
f
git@git
.
g
romacs
.
org:g
r
omac
s
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pall
minor
fixes in documentation + s
o
me
debuggin
g
code
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
ad
d
ed os-
s
pe
c
ific
defines from cmake required by me
m
testG80
commit
|
commitdiff
|
tree
2010-05-10
Sz
i
l
a
rd Pall
MSVC
fix for g
m
x_parall
e
l_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szil
a
rd Pall
on
l
y i
s
sue openmm
c
o
nstrints
wa
r
ning if const
r
ainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pa
l
l
Merge bra
n
ch 'mas
t
er' of gi
t
@git
.
gr
o
m
a
cs
.
or
g
:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
temporary
fix for
c
ompi
l
at
i
on error with GMX_
O
PEN
M
M=O
N
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Merge branch
'
master' of g
i
t@git
.
grom
a
cs
.
or
g
:g
r
om
a
cs
commit
|
commitdiff
|
tree
2010-05-07
S
z
il
a
rd Pall
Merge bran
c
h 'mast
e
r' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
a
d
ded gromacs
f
ile headers t
o
the Ope
n
M
M-rela
t
ed files
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
minor fixes, documentati
o
n and
slight API cha
n
ge i
n
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
minor updat
e
s t
o
FindGit an
d
FindOpe
n
M
M
commit
|
commitdiff
|
tree
2010-05-07
S
z
il
a
rd Pall
updated FindCUD
A
to version from cmake 2
.
8
.
1 f
o
r CU
D
A
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
S
z
ilar
d
P
all
Merge br
a
n
c
h 'm
a
ster' of git@
g
i
t
.
gromac
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pall
doxygen comments for the OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
Szila
r
d Pall
a
d
ded
d
ocumentation for th
e
ope
n
mm_wrapper
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
formatting
f
ix of openmm
wr
a
ppe
r
- gromacsif
i
e
d
t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
cleaned up a bunch
op
m
ess in
do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilar
d
Pall
b
ugfix
for do_md_openmm - was alwa
y
s pu
l
ling data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
f
i
x
ed
timing bug in do
_
m
d_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
zilard Pall
ad
d
ed some more s
u
pported GPUs
(
hi
g
h-end
mobi
l
e an
d
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
S
zilard
Pall
M
e
r
g
e branch 'master' of
g
it@git
.
gromacs
.
org:gr
o
m
acs
commit
|
commitdiff
|
tree
2010-04-06
Szilard P
a
ll
now g_bar looks f
o
r lambda only in t
h
e last
d
i
rectory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
S
z
ila
r
d Pall
Fixed g_bar b
u
g
in lambda v
a
lue pa
r
sing f
r
om pat
h
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pall
fixed
g
mxGenerateVersi
o
nInfo
.
cmake
t
o produce 8
d
ig
i
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
The
c
make development information ge
n
erati
n
g work
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilard Pall
adde
d
FindGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
fix for gmxGen
e
r
ateVer
s
ionI
n
fo
.
cmake, n
o
w
works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szil
a
r
d
Pall
fix
e
d USE_VERSION_H
C
ma
k
e option
commit
|
commitdiff
|
tree
2010-03-18
S
z
ilard Pall
Me
r
ge branch 'master'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
S
zil
a
rd Pa
l
l
fixed th
e
problem of versio
n
.
c not
being built a
t
the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szil
a
rd Pall
added mis
s
in
g
VER
S
ION
pre
f
ix to _gmx
_
ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilar
d
Pall
fix for genversion
.
sh to recognize the
g
it://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
S
zilard P
a
ll
Merge branch 'master' o
f
git@git
.
gr
o
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pa
l
l
Cm
a
ke impleme
n
tation to
g
en
e
rate devel
o
p
ment build
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
OpenMM
build
not
d
ependent
o
n ff
t
w
an
y
more
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fixed
m
drun verb
o
s
ity with OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilar
d
Pall
fixed
a missing com
m
a and a t
y
po
in openmm_wrapper
commit
|
commitdiff
|
tree
2010-03-11
S
z
il
a
r
d
P
a
l
l
Del
e
te src/ke
r
n
e
l/do_
m
d_openm
m
_nop
a
tch
.
h
, it's not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Mi
n
or cleanup,
some r
e
arrangamen
t
s, and
comm
e
nting
.
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d
Pall
Reverted stupid chang
e
in CMaleLists
.
txt
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pal
l
Renamed md_openmm into ope
n
mm_wr
a
p
p
er, and do_md_openmm
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
S
z
i
l
a
r
d Pall
Fix
e
d d
e
adlock occur
i
ng
i
n
gmx_fatal
.
c: introduced
.
.
.
commit
|
commitdiff
|
tree