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Merge branch 'master' into rotation
2009-11-20
Carsten K
u
tzner
Merge branch
'master' in
t
o
rotation
commit
|
commitdiff
|
tree
2009-11-20
Carste
n
Kutzner
Enforced rotati
o
n: deta
i
ls
commit
|
commitdiff
|
tree
2009-10-23
Carsten Kut
z
n
e
r
M
erge br
a
nch 'm
a
ster' i
n
to ro
t
ation
commit
|
commitdiff
|
tree
2009-10-21
C
a
r
s
ten Kutzner
g_tune_pm
e
now
a
lso acc
e
pts < 3 n
o
d
e
s,
a
lso ou
t
p
u
t
s
.
.
.
commit
|
commitdiff
|
tree
2009-10-14
Carsten Kutzner
Merge
branch 'master' into
rotation
commit
|
commitdiff
|
tree
2009-10-14
Carsten Kutzne
r
Enforced rotation: moved all he
l
per variables of input
r
ec
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
Ca
r
s
t
e
n Kutz
n
e
r
Merge branch
'
master'
o
f git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-12
Carsten
K
utzne
r
c
y
c
le c
o
unter
s
can now
be r
e
set by a (hidden) mdru
n
.
.
.
commit
|
commitdiff
|
tree
2009-09-22
Cars
t
en
K
utzner
E
n
f
orced rotation: sm
a
rt
e
r way t
o
deter
m
ine relevant
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
Car
s
ten Kutzner
Merge branch 'master' into rotation
commit
|
commitdiff
|
tree
2009-09-21
Carst
e
n K
u
tz
n
er
Enforced rot
a
t
i
on:
Another m
i
nor opt
i
mi
z
ation
in do_flex
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Ca
r
sten Kutzne
r
E
n
force
d
rotat
i
on:
M
inor perform
a
nce optimiza
t
ion in
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Ca
r
sten K
u
tz
n
er
Merge branch
'
master' of git
@
git
.
grom
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutzner
Fixe
d
format
conversions
i
n gmx_
t
u
ne_
p
me
.
c
commit
|
commitdiff
|
tree
2009-09-15
Carsten Kutzner
Merge bran
c
h
'master
'
int
o
rotat
i
o
n
commit
|
commitdiff
|
tree
2009-09-15
Carste
n
Kut
z
ner
En
f
orced
rot
a
tion: new ty
p
e
'followplane
'
, p
l
u
s fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Carsten Kutzner
E
d
sam: Added t
h
e po
s
sib
i
li
t
y to flood towa
r
ds a ce
r
t
ain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carste
n
Kutzner
Enforced rotation: made fit
type
c
ontrollable b
y
md
p
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten
Ku
t
zner
M
e
r
g
e bra
n
ch 'mast
e
r' into rotati
o
n
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kutzner
En
f
orced rotatio
n
: rotati
o
n
o
u
tput
f
i
l
e n
a
mes
c
an
now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Carsten K
u
tzner
Enforced
rota
t
ion: added
t
ype 'fixedplane
'
commit
|
commitdiff
|
tree
2009-08-28
Carsten Kutzner
Enforced rota
t
ion: simp
l
i
f
i
ed calculation
s
in do_f
l
ex_lowlevel
commit
|
commitdiff
|
tree
2009-08-24
Carsten Kutzner
Merged
in
c
hange
s
f
r
om mast
e
r branch
commit
|
commitdiff
|
tree
2009-08-24
Cars
t
en Kutzner
R
enamed rotation
.
{c,h} to pull_rotation
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Clearer output when m
u
l
t
i
p
le gr
o
up
s
a
r
e rotated
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutz
n
er
Fixed calculation of n
s
labs in reduce_output when mu
l
t
i
ple
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Removed
/
/ style c
o
mments
commit
|
commitdiff
|
tree
2009-08-20
Cars
t
en Kutzner
I
n
i
t
i
al
c
ommit
of enforc
e
d ro
t
at
i
on add-on
commit
|
commitdiff
|
tree
2009-08-20
Cars
t
en
Kutzne
r
Started
n
e
w
branch 'rotati
o
n' for enforced rotation
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carsten Ku
t
z
ner
Fixed
u
ninitialized variable in gmx_t
u
ne_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Ca
r
st
e
n Kutzne
r
Merge
b
r
a
nch 'master' of git@gi
t
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-29
Car
s
t
e
n
K
u
t
zne
r
M
er
g
e branch 'master
'
of g
i
t@git
.
g
romacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten Kutzner
s
e
t init_
s
t
ep
on
p
me
only nodes when counter reset
t
ing
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Car
s
ten Kutzner
Counter
r
eset
t
ing also on
t
he
PME only nodes
commit
|
commitdiff
|
tree
2009-07-16
Car
s
ten
K
utzner
Che
c
k
md
.
log to ensure GMX_R
E
S
ET_COUNTERS
w
a
s pas
s
ed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Carsten
K
utzne
r
Check whether mpi
r
u
n accepts -x opti
o
n
commit
|
commitdiff
|
tree
2009-07-15
C
arst
e
n Kutzner
Mer
g
e
b
ranch 'master' o
f
git
@
g
i
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzner
Se
v
eral improvement
s
to gmx_t
u
n
e_pme
commit
|
commitdiff
|
tree
2009-07-07
Ca
r
sten Kutzner
Merge branc
h
'
m
aster' of git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n Kutzn
e
r
Remov
e
d unused
m
_rvec* functions in v
e
c
.
h (unneeded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carste
n
K
utzner
Made th
e
opt
i
onal GMX_BARRIERS work wi
t
h separate PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Cars
t
en
Kutzner
Output the corr
e
c
t number of f
i
les in
r
e
ad_tpr_pu
l
l
x
f
_files
commit
|
commitdiff
|
tree
2009-06-23
C
a
rsten
Kutzner
Fix
e
d
check_oo memo
r
y
co
r
ruption p
r
o
b
l
e
m
commit
|
commitdiff
|
tree
2009-06-22
Carst
e
n Ku
t
z
n
er
Merge branch 'master' of git@git
.
groma
c
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-06-19
Carsten
K
u
tzner
Removed all static var
i
ab
l
e
s
in
edsam
.
c
commit
|
commitdiff
|
tree