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added documentation for the openmm_wrapper
2010-04-16
S
zilard
Pall
added do
c
u
m
entation for the op
e
nmm_wra
p
per
commit
|
commitdiff
|
tree
2010-04-16
S
z
ilard Pall
formatting fix of openmm
w
r
ap
p
er - gromacs
i
fied the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard
Pall
cleaned
u
p
a b
u
n
c
h op mess in do
_
md
_
openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
bu
g
fix f
o
r d
o
_md_open
m
m - was alway
s
pulling data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fix
e
d
tim
i
n
g
bug in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
i
l
ard Pall
added some mor
e
suppo
r
ted GPUs (hi
g
h-end mobil
e
and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
Merge branch 'master' of git@git
.
gromacs
.
org:gr
o
m
a
cs
commit
|
commitdiff
|
tree
2010-04-06
Szila
r
d Pall
now
g
_bar looks
f
or
l
ambda only
i
n th
e
l
ast dire
c
t
o
ry
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilar
d
Pal
l
Fixed g_bar b
u
g
in lambda value p
a
rsing from path
.
commit
|
commitdiff
|
tree
2010-03-29
S
z
i
lard Pall
fixe
d
gmxGenerateVersionIn
f
o
.
cmake to produce 8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard Pall
The cmake developme
n
t infor
m
a
tion generati
n
g works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szila
r
d Pa
l
l
added
Fi
n
dGit
.
cmake script
commit
|
commitdiff
|
tree
2010-03-28
Szilard P
a
ll
f
i
x
f
o
r gmxGenerateV
e
rsionInfo
.
c
m
ake, now works with
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szilard Pall
f
i
xed USE
_
VERSION_H Cm
a
k
e
o
p
tion
commit
|
commitdiff
|
tree
2010-03-18
Szila
r
d
Pall
Merge branch 'master
'
o
f
g
i
t@g
i
t
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-18
Sz
i
l
a
rd
P
all
f
ixed t
h
e proble
m
o
f version
.
c not b
e
ing
built at
th
e
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
zilard Pall
added miss
i
ng VERS
I
ON prefix to _gmx_ver_string
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
fix for g
e
nversio
n
.
s
h
t
o recognize th
e
git://
.
.
.
/gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
Merg
e
bran
c
h
'master' of git@git
.
grom
a
c
s
.
o
rg:gro
m
acs
commit
|
commitdiff
|
tree
2010-03-16
Szila
r
d
P
a
ll
Cmake
i
m
p
lementation
to g
e
nerate developme
n
t
b
uild
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Szila
r
d Pall
OpenMM build not depe
n
dent on fftw anymo
r
e
commit
|
commitdiff
|
tree
2010-03-11
S
zilard Pall
fixed mdrun verbosit
y
wi
t
h OpenMM build
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
fixed a mi
s
sing comma an
d
a ty
p
o in o
p
enmm_wrapper
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
ard Pal
l
Delete
src/kernel/do_md_openmm_nopatch
.
h,
i
t's not
.
.
.
commit
|
commitdiff
|
tree
2010-03-11
Sz
i
l
a
rd Pall
Minor cleanup, s
o
me
r
e
arrangaments, and comment
i
ng
.
commit
|
commitdiff
|
tree
2010-03-11
Szilard Pall
Reverted st
u
p
i
d chang
e
in CMale
L
ist
s
.
t
x
t
commit
|
commitdiff
|
tree
2010-03-11
Szi
l
ard Pal
l
Renamed md_openmm into
openmm_wrapp
e
r, and do_md_openm
m
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard P
a
ll
Fixed
dea
d
lo
c
k occ
u
ring
in gmx_fatal
.
c: introdu
c
e
d
.
.
.
commit
|
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|
tree