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Merge branch 'master' into rotation
2009-11-30
Carsten
K
u
t
z
n
e
r
Merge branch 'master' into rota
t
ion
commit
|
commitdiff
|
tree
2009-11-30
Carsten
Kutzner
Enforce
d
r
o
tation: changed
md
r
un switch
-
r
to -r
o
to
.
.
.
commit
|
commitdiff
|
tree
2009-11-30
C
a
rsten Kutz
n
er
g_tune_pme now doe
s
proper cleanup also wi
t
h pull
s
imulations
commit
|
commitdiff
|
tree
2009-11-24
Car
s
ten K
u
tzner
Enforced rotation: fi
x
ed calculat
i
o
n of relevant slab
s
commit
|
commitdiff
|
tree
2009-11-24
C
arsten
Kutzner
M
e
r
ge bra
n
ch 'maste
r
' into rotation
commit
|
commitdiff
|
tree
2009-11-20
Cars
t
e
n Kutzn
e
r
Merge branch
'master' into rotation
commit
|
commitdiff
|
tree
2009-11-20
C
a
rsten Kutzner
E
nforced rotation: d
e
tails
commit
|
commitdiff
|
tree
2009-10-23
Cars
t
e
n
Kutzner
Merge branch
'
m
a
s
t
er' into rota
t
ion
commit
|
commitdiff
|
tree
2009-10-21
Carste
n
Kutzn
e
r
g_tune_pme now
a
lso accepts < 3 nodes,
a
ls
o
out
p
uts
.
.
.
commit
|
commitdiff
|
tree
2009-10-14
Carsten Ku
t
z
ne
r
M
e
rg
e
branch 'ma
s
t
er' into rotation
commit
|
commitdiff
|
tree
2009-10-14
C
arste
n
Kutzne
r
Enforce
d
rotat
i
on: moved all h
e
lper va
r
iables of inputr
e
c
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
Cars
t
en Kutzner
Merge branch 'master'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-12
C
a
rsten Kutz
n
er
c
y
c
l
e counte
r
s can
now be reset by a (
h
idden) mdrun
.
.
.
commit
|
commitdiff
|
tree
2009-09-22
Carsten K
u
t
z
n
er
Enforced rotation: sma
r
ter way to dete
r
mine
re
l
ev
a
nt
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
C
a
rsten Kutz
n
er
Merge branch 'm
a
ster'
i
n
t
o rota
t
ion
commit
|
commitdiff
|
tree
2009-09-21
Carsten Kutzner
E
nfo
r
c
e
d rotation
:
Ano
t
her minor opt
i
mization in do_
f
lex
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
C
a
rsten Kutzner
Enforc
e
d rotation: M
i
nor perf
o
rmance optimizatio
n
i
n
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutzner
Merge br
a
nch 'ma
s
ter' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutzner
Fixed forma
t
conversio
n
s in g
m
x_tu
n
e_pme
.
c
commit
|
commitdiff
|
tree
2009-09-15
Carsten Kutzner
Merge bra
n
ch 'master' into rotation
commit
|
commitdiff
|
tree
2009-09-15
Car
s
ten Kutzner
Enfo
r
ced rotatio
n
: new
t
ype 'followplane', plus
fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Carste
n
Kutzne
r
Eds
a
m:
A
dded the possibility to flood tow
a
rds a c
e
rta
i
n
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten
K
u
t
z
n
er
Enforced r
o
t
a
tion:
m
ade fit type controlla
b
le by m
d
p
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kutzner
Merge
b
ranch '
m
aster' in
t
o
r
otation
commit
|
commitdiff
|
tree
2009-09-03
C
a
r
ste
n
Kutzner
Enforced rotation: rotation ou
t
p
ut file
names ca
n
now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Carsten
K
u
t
zner
Enforced rotation:
a
d
de
d
typ
e
'
fixedp
l
a
ne'
commit
|
commitdiff
|
tree
2009-08-28
C
a
r
s
t
en Kutzner
Enforced
r
otation: sim
p
l
i
f
i
ed cal
c
u
lations in
do_flex_lowl
e
vel
commit
|
commitdiff
|
tree
2009-08-24
Car
s
ten
K
ut
z
n
e
r
M
e
rged in cha
n
ges from master b
r
a
nch
commit
|
commitdiff
|
tree
2009-08-24
Carsten Kutzne
r
Renamed rotation
.
{
c
,
h} to pull_rot
a
tio
n
commit
|
commitdiff
|
tree
2009-08-20
C
arsten Kutzn
e
r
Clearer output
when multipl
e
gro
u
ps are rotate
d
commit
|
commitdiff
|
tree
2009-08-20
Ca
r
sten
Kutzner
F
i
xed calculation of nslabs
in reduce_
o
u
t
p
ut wh
e
n multiple
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Removed // style comments
commit
|
commitdiff
|
tree
2009-08-20
Carsten
Kutzner
Initial commit of enforced rotation add-on
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Started
new b
r
anch 'ro
t
ation
'
for enforced rotation
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Cars
t
en Kutzne
r
Fixed uninitialize
d
var
i
a
b
l
e
in gmx_tune
_
pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten Kutzne
r
M
e
rge branch 'master' of git@
g
it
.
g
ro
m
acs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2009-07-29
C
a
r
s
t
e
n
Kutzner
Me
r
g
e branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten Kutzner
set i
n
it_ste
p
on
pm
e
only nodes whe
n
counter resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carsten
Kutzner
C
oun
t
er re
s
etting also on the PME only no
d
e
s
commit
|
commitdiff
|
tree
2009-07-16
Carsten Kutzner
Check md
.
log to
e
n
sure G
M
X_
R
ESET_COUNTERS
was pas
s
ed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Car
s
ten Ku
t
zner
Check whether mpirun
ac
c
epts -x option
commit
|
commitdiff
|
tree
2009-07-15
C
arsten Kutzne
r
M
erg
e
branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-15
Carste
n
K
u
t
z
ner
Se
v
eral improvemen
t
s
to gmx_
t
une_pme
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n Kutzner
Merg
e
branch 'master' of git@git
.
g
romac
s
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
R
e
moved
u
nused m_rvec* f
u
n
c
tions in vec
.
h (u
n
n
e
e
ded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n
Kutzner
Ma
d
e the op
t
ion
a
l GMX_BARRIERS
w
ork w
i
t
h sep
a
r
ate PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Ca
r
s
t
en Ku
t
z
n
er
O
u
tput
the correct number
of files in read_tpr_pullxf_files
commit
|
commitdiff
|
tree
2009-06-23
Carsten Kutzn
e
r
F
i
x
e
d c
h
eck_oo memory
corruption pr
o
blem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzn
e
r
M
erge bran
c
h
'
ma
s
ter' of git@
g
it
.
grom
a
cs
.
o
rg
:
gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzner
Re
m
oved a
l
l st
a
tic variabl
e
s in
edsam
.
c
commit
|
commitdiff
|
tree