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Merge branch 'master' into rotation
2009-10-23
Carsten Kutz
n
er
Merge
b
ranch 'master' int
o
rotation
commit
|
commitdiff
|
tree
2009-10-21
Carsten Kutzner
g_tune_pm
e
now als
o
accepts <
3
nodes, also outputs
.
.
.
commit
|
commitdiff
|
tree
2009-10-14
Carsten Kutzner
Merge branc
h
'm
a
ster' into rotatio
n
commit
|
commitdiff
|
tree
2009-10-14
Car
s
ten Kutzner
E
n
forced rotation: m
o
ved all helper va
r
i
ables of inp
u
t
rec
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
C
a
rsten Kutzner
Merge branch 'ma
s
ter' of g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-12
C
arsten
K
utzner
cyc
l
e co
u
nters can n
o
w be
r
eset by a (
h
idden) mdrun
.
.
.
commit
|
commitdiff
|
tree
2009-09-22
Carsten
Kutzner
Enforc
e
d
r
o
tation: smarter w
a
y to deter
m
ine relevan
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
Carsten Kutzner
M
e
rge bran
c
h '
m
ast
e
r' into rotation
commit
|
commitdiff
|
tree
2009-09-21
Car
s
ten K
u
tzn
e
r
En
f
orced r
o
tation:
Another mino
r
optim
i
zat
i
on in do
_
fl
e
x
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
C
arsten Kutzne
r
Enforced rotation: M
i
nor performance optimization
i
n
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Car
s
t
en Ku
t
z
n
e
r
Merge bran
c
h 'maste
r
' of git@git
.
gro
m
acs
.
or
g
:grom
a
c
s
commit
|
commitdiff
|
tree
2009-09-16
Ca
r
sten
K
utzner
Fixed format con
v
ersions in gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-09-15
Carsten Kutzner
Merge
b
r
a
nc
h
'
master' into rota
t
ion
commit
|
commitdiff
|
tree
2009-09-15
C
arste
n
Kutzner
Enforced r
o
tation: n
e
w t
y
pe 'followplane', plus fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Car
s
ten Kutzner
Eds
a
m: Added the po
s
s
i
bility to flood towards a certain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kutzn
e
r
Enforced r
o
tation:
m
a
de fit type
c
ontroll
a
ble
by mdp
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten Ku
t
zner
Mer
g
e branch 'master' into
rotation
commit
|
commitdiff
|
tree
2009-09-03
Carst
e
n Kutzner
Enforced rotation: rotation output file n
a
me
s
can now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Carsten K
u
tzner
E
n
f
orced rotation: adde
d
type 'fixed
p
lan
e
'
commit
|
commitdiff
|
tree
2009-08-28
Ca
r
sten Kutzner
Enforced
r
o
tation: simplified calculatio
n
s in do_flex_lowlevel
commit
|
commitdiff
|
tree
2009-08-24
Ca
r
s
t
en Kutzner
Merg
e
d
i
n
changes from master branc
h
commit
|
commitdiff
|
tree
2009-08-24
Carste
n
Kutzner
Renamed rotat
i
on
.
{c,h} to pu
l
l
_rotation
commit
|
commitdiff
|
tree
2009-08-20
Carsten K
u
tzn
e
r
Clearer ou
t
p
u
t when m
u
ltiple gr
o
ups are ro
t
a
t
ed
commit
|
commitdiff
|
tree
2009-08-20
Carste
n
Kutzne
r
Fixed calculation of nslabs in reduce_output when
mult
i
ple
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Carst
e
n Kutzner
Remove
d
// style comments
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kut
z
ner
I
nitial
c
ommit
o
f
enforced rotation add-on
commit
|
commitdiff
|
tree
2009-08-20
Ca
r
sten Kut
z
ner
Star
t
ed n
e
w
branch '
r
ot
a
ti
o
n' for enforced ro
t
ation
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carste
n
Ku
t
zne
r
Fixed uniniti
a
l
i
zed
v
ariable in
gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten
K
ut
z
ner
Merg
e
br
a
n
ch 'mast
e
r' of git@git
.
g
r
o
macs
.
org:
g
r
omacs
commit
|
commitdiff
|
tree
2009-07-29
C
a
r
sten Kutzner
Merge branch '
m
as
t
er' of
g
it@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten
Kutzner
se
t
ini
t
_step on
p
me only nodes w
h
en counter resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carsten Kutz
n
er
Counter resetting also
o
n the
P
ME only nodes
commit
|
commitdiff
|
tree
2009-07-16
Ca
r
s
ten Kutzner
Chec
k
md
.
lo
g
to ensure GMX_RESET_C
O
U
N
T
E
RS was passed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
C
a
rsten Kut
z
ner
Ch
e
c
k
wheth
e
r mpirun accepts
-
x
o
ption
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzner
Merg
e
br
a
nc
h
'master' of git@git
.
gro
m
acs
.
or
g
:grom
a
cs
commit
|
commitdiff
|
tree
2009-07-15
C
arsten
K
utzne
r
S
e
v
e
ra
l
improvements to gmx_t
u
ne_p
m
e
commit
|
commitdiff
|
tree
2009-07-07
C
arsten K
u
tzner
Merge bra
n
ch 'ma
s
t
e
r' of git@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-07
Ca
r
st
e
n
Kutzner
Remov
e
d
unused m
_
r
ve
c
* fun
c
tions
i
n vec
.
h (unneeded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n K
u
tzner
M
ad
e
the optional G
M
X
_BARRIERS wor
k
w
ith
separate PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carsten Kutzner
Out
p
ut the correct number of files in read_tpr_pullxf_files
commit
|
commitdiff
|
tree
2009-06-23
Carsten K
u
tzn
e
r
Fixed check_oo memory cor
r
uption problem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzner
M
e
r
ge branch 'ma
s
te
r
' of git@
g
it
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-06-19
C
a
rst
e
n Kutzner
R
e
m
oved al
l
s
t
a
tic var
i
ables in edsam
.
c
commit
|
commitdiff
|
tree