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Enforced rotation: preparations for flex-t and flex2-t potentials
2009-09-02
Carsten
Ku
t
zner
Enf
o
rce
d
ro
t
ation: added type 'fixe
d
p
lane
'
commit
|
commitdiff
|
tree
2009-08-28
Carst
e
n Kutzner
E
n
forc
e
d rotation:
s
impl
i
fied calc
u
lations in d
o
_f
l
ex_lowlevel
commit
|
commitdiff
|
tree
2009-08-24
Car
s
ten Kutzner
Merged in chang
e
s fr
o
m master branch
commit
|
commitdiff
|
tree
2009-08-24
Cars
t
en
Kutz
n
er
R
ena
m
ed
rotation
.
{
c
,h} to pull_rotation
commit
|
commitdiff
|
tree
2009-08-20
Carsten
K
utzner
C
learer ou
t
put wh
e
n
multiple g
r
oups are
rotat
e
d
commit
|
commitdiff
|
tree
2009-08-20
Ca
r
sten K
u
tz
n
er
Fixed
calculation o
f
nslabs
i
n redu
c
e_output
when multiple
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Removed // st
y
le
c
o
mments
commit
|
commitdiff
|
tree
2009-08-20
C
arsten Kutzner
Initial commit
o
f
enforced
r
o
t
ation ad
d
-on
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
S
t
arted new branch '
r
otat
i
on' f
o
r en
f
orced
r
o
t
ati
o
n
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carsten
K
utzner
Fixed uninitiali
z
ed variable in gmx_tune_
p
me
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten Kutzne
r
Merge branch 'master' of git@git
.
g
r
omacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-07-29
Carste
n
Kutzner
M
e
r
ge b
r
anch 'master' of git@gi
t
.
g
r
omacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2009-07-28
C
a
rsten Kutz
n
er
set
i
nit_step on pme only nod
e
s
when cou
n
ter reset
t
ing
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carsten Kutzner
Counter reset
t
ing
a
lso on th
e
P
ME onl
y
nodes
commit
|
commitdiff
|
tree
2009-07-16
C
arsten K
u
tzner
Chec
k
m
d
.
log to ens
u
re GMX_RE
S
E
T
_COUNTERS
w
as
p
assed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Carsten K
u
tz
n
e
r
Check whether mpirun accepts -x option
commit
|
commitdiff
|
tree
2009-07-15
Car
s
ten Kutzner
Mer
g
e br
a
n
c
h
'
master' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-15
Car
s
t
en Kut
z
ner
Several impr
o
v
e
ments to
gmx_tune_pme
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
Merge
b
r
anch 'master' of git@git
.
grom
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n
Kutzner
Removed unuse
d
m_rvec
*
functions
in vec
.
h (unneeded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n Kutzner
Made t
h
e option
a
l GMX
_
BARRIER
S
work with separate P
M
E
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carst
e
n K
u
tzner
Output the correct n
u
mbe
r
of files
i
n
read_tpr_pullxf_fil
e
s
commit
|
commitdiff
|
tree
2009-06-23
C
arste
n
Kutzner
F
ixed check_oo me
m
ory corruption problem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzner
Mer
g
e b
r
an
c
h
'master' of git@g
i
t
.
gro
m
acs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzner
Re
m
oved all static variabl
e
s in ed
s
am
.
c
commit
|
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|
tree