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Merge branch 'master' into rotation
2010-07-27
C
a
rsten Kutzne
r
M
e
rge branch 'master' into ro
t
ation
commit
|
commitdiff
|
tree
2010-07-27
Carsten Kutzner
Enfo
r
ced rotation: correcte
d
v
aria
b
le
type
commit
|
commitdiff
|
tree
2010-07-27
ckut
z
ne
Enforced rotation: PB
C
image must be chosen before
.
.
.
commit
|
commitdiff
|
tree
2010-07-27
Carsten Kut
z
ner
Mer
g
e branch 'master' into r
o
tation
commit
|
commitdiff
|
tree
2010-07-27
Car
s
ten
Kutzne
r
M
e
rg
e
branc
h
'mas
t
er' into r
o
tation
commit
|
commitdiff
|
tree
2010-07-26
C
arst
e
n Ku
t
zner
Merge branch 'mas
t
e
r' into rotati
o
n
commit
|
commitdiff
|
tree
2010-07-26
Carsten Kutzner
En
f
orced
r
o
tation: add str
i
ng
.
h header
commit
|
commitdiff
|
tree
2010-07-23
C
arsten Ku
t
zner
Merge branch 'master' into rotation
commit
|
commitdiff
|
tree
2010-07-23
Carsten
K
utzner
Enforced
rotation:
d
o
n
ot
p
rint diagnost
i
c output
commit
|
commitdiff
|
tree
2010-07-22
C
a
rste
n
K
u
tzner
Remo
v
ed // comment in
qm_orca
.
c
commit
|
commitdiff
|
tree
2010-07-22
Cars
t
en Kutzne
r
Merge branch 'master' into rotation
commit
|
commitdiff
|
tree
2010-07-21
ckutzn
e
Enfor
c
ed rota
t
ion: clean up code
.
commit
|
commitdiff
|
tree
2010-07-21
C
a
rsten Kutzn
e
r
Merge
branc
h
'ma
s
ter' int
o
rotation
commit
|
commitdiff
|
tree
2010-07-21
Carsten Ku
t
zner
Enfor
c
ed ro
t
ation
commit
|
commitdiff
|
tree
2010-07-21
Carsten Kutzner
Merge branch
'
master' into
rotation
commit
|
commitdiff
|
tree
2010-07-20
ckutz
n
e
Enforced ro
t
atio
n
: precalc in
n
er su
m
for flex1
pot
e
nt
i
al
.
.
.
commit
|
commitdiff
|
tree
2010-07-20
Carsten Kutzner
M
erge
branch 'master'
i
nto
r
ot
a
tion
commit
|
commitdiff
|
tree
2010-07-19
C
a
rsten Kutzne
r
Enforced rotat
i
o
n:
fix masses arr
a
y
commit
|
commitdiff
|
tree
2010-07-19
Carsten K
u
t
zner
Merge bra
n
c
h
'ma
s
ter' into rotatio
n
commit
|
commitdiff
|
tree
2010-07-16
Carsten Kutzner
Merge branch
'master' i
n
to ro
t
a
tion
commit
|
commitdiff
|
tree
2010-07-16
ckut
z
ne
removed
// comme
n
t
commit
|
commitdiff
|
tree
2010-07-16
ckutzne
Enf
o
rced
r
otation: Imple
m
ented a new s
e
t
of rotation
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
Carsten Ku
t
z
n
e
r
Fixed s
e
vera
l
m
i
nor issues in
E
D/flood
i
ng module
commit
|
commitdiff
|
tree
2010-07-13
C
a
rsten Kut
z
ner
M
erg
e
branch '
m
aster
'
in
t
o r
o
ta
t
i
o
n
commit
|
commitdiff
|
tree
2010-07-12
Car
s
ten
Kutzn
e
r
g_tune_pme now recalculates scaling factors
f
r
om
a
c
tual
.
.
.
commit
|
commitdiff
|
tree
2010-07-06
C
arsten Ku
t
zner
Merge branch 'master'
i
nto rot
a
tio
n
commit
|
commitdiff
|
tree
2010-07-06
Car
s
ten Kutzner
En
f
orced
rotation: p
r
ecalculati
o
n of inner s
u
m
fo
r
.
.
.
commit
|
commitdiff
|
tree
2010-06-29
C
ar
s
te
n
Ku
t
zner
add -cpnum support to g_tune_pme
commit
|
commitdiff
|
tree
2010-06-28
Carsten Kutzner
moved error
-
check after
l
ogfile parsing
commit
|
commitdiff
|
tree
2010-06-25
C
arsten Ku
t
z
n
e
r
Parse stderr of
t
uning r
u
ns to catc
h
fat
a
l error
s
which
.
.
.
commit
|
commitdiff
|
tree
2010-06-25
Carsten Kutzner
h
i
dden -passall
opt
i
on can be used to add ext
r
a strings
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Carsten Kutz
n
er
spee
d
up tunin
g
for la
r
ge num
b
ers of p
r
oce
s
ses
commit
|
commitdiff
|
tree
2010-06-24
Carste
n
Kutzn
e
r
try to a
v
oid w
e
i
rd PME/PP combinations
i
n g_tune_
p
me
commit
|
commitdiff
|
tree
2010-06-22
C
a
rsten Kutzner
g_tune
_
pme now
also updates rlistlo
n
g
etc
.
commit
|
commitdiff
|
tree
2010-06-21
Ca
r
sten Kutzner
g_tune_pme
:
add option to choose how nprocs is passed
.
.
.
commit
|
commitdiff
|
tree
2010-06-17
Carsten Kutzner
Merge branch 'm
a
s
ter' of git
.
gromac
s
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-17
C
a
r
s
ten Kutzner
fi
x
ed
t
uning for load
l
eveler and upd
a
ted it to modified
.
.
.
commit
|
commitdiff
|
tree
2010-06-16
C
a
r
s
ten
K
ut
z
ner
fixed g_t
u
ne_pme for the us
e
wit
h
IBM's poe
commit
|
commitdiff
|
tree
2010-06-08
Car
s
ten Kutz
n
er
fixed
c
ontinuat
i
on r
u
ns with
e
s
s
enti
a
l dynamics
commit
|
commitdiff
|
tree
2010-06-04
C
arsten
K
utzner
removed todo
i
tem
commit
|
commitdiff
|
tree
2010-06-04
C
arsten Kutzner
fix
e
d t
u
ni
n
g w
i
th
checkpoint fil
e
s
commit
|
commitdiff
|
tree
2010-06-04
Carsten
K
utzner
fixed fi
l
e
appending for essenti
a
l dyna
m
ic
s
output
.
.
.
commit
|
commitdiff
|
tree
2010-06-04
Carsten Kutzn
e
r
fixed
-deffn
m
option for g_tune_
p
m
e
commit
|
commitdiff
|
tree
2010-06-03
Carste
n
K
u
tzner
Enforced rotation:
ISO, ISO-PF, PM, PM-PF now have
.
.
.
commit
|
commitdiff
|
tree
2010-04-29
Car
s
ten Kutzner
En
f
orced rotati
o
n: star
t
ed to implement
mass-weighted
.
.
.
commit
|
commitdiff
|
tree
2010-04-23
C
arsten Kutzner
Merge
b
ranch 'master'
o
f git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-23
Carsten Kutzne
r
fi
x
ed
s
egv's in gmx_clu
s
ter when used
w
i
t
h
x
pm input
.
.
.
commit
|
commitdiff
|
tree
2010-03-29
C
ars
t
e
n
K
u
tzner
Note
commit
|
commitdiff
|
tree
2010-02-03
Carsten
K
utzner
U
pdated edsam
.
h
commit
|
commitdiff
|
tree
2010-02-03
C
a
rs
t
e
n
Kutzner
Remov
e
d
usel
e
s
s code in
d
d_
m
a
ke_local_group_indices
commit
|
commitdiff
|
tree
2010-02-02
Carsten Kutzner
Merge branch 'master' into rotation
commit
|
commitdiff
|
tree
2010-02-02
Carsten
K
utzner
Enfor
c
ed rota
t
ion: removed
u
nused
code in
r
eadrot
.
c
commit
|
commitdiff
|
tree