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Enforced rotation: Another minor optimization in do_flex[1,2]_lowlevel
2009-09-21
Carsten Kutzner
Enforced rotatio
n
: Anot
h
er minor optimization
in do_fle
x
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Carsten Kutzner
E
n
fo
r
ced rotation
:
Mino
r
performa
n
ce
optimiz
a
tion in
.
.
.
commit
|
commitdiff
|
tree
2009-09-15
C
a
rst
e
n Kutzn
e
r
Merge branch
'
mas
t
er' int
o
rotation
commit
|
commitdiff
|
tree
2009-09-15
Ca
r
s
ten Kutz
n
e
r
Enf
o
rced rotatio
n
: new
t
y
pe 'followplane', plus fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Carsten Kutzner
Edsam: Added the poss
i
b
i
lity to flood towa
r
d
s a
cer
t
ain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Ca
r
sten Ku
t
zne
r
E
nforced
r
ota
t
i
o
n: made
fit type controllable by mdp
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kutzner
M
erge bra
n
ch 'ma
s
ter' into rot
a
tion
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kutz
n
er
Enforced ro
t
ation:
r
o
tation output file names can n
o
w
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Carsten Kutzner
E
nforced rotation: a
d
ded typ
e
'fixedplane'
commit
|
commitdiff
|
tree
2009-08-28
Carsten Ku
t
zner
Enforce
d
rotation: simpli
f
ied cal
c
ulations in do_flex_lowlev
e
l
commit
|
commitdiff
|
tree
2009-08-24
Carst
e
n Kutzner
Merge
d
in changes from master branch
commit
|
commitdiff
|
tree
2009-08-24
Carsten Kutzne
r
Rena
m
ed rotation
.
{c,h} to pull_
r
o
tati
o
n
commit
|
commitdiff
|
tree
2009-08-20
C
arsten Kutzn
e
r
Clearer out
p
ut
w
hen mul
t
iple groups are
r
o
tated
commit
|
commitdiff
|
tree
2009-08-20
Car
s
ten Kutzn
e
r
Fixed calcula
t
i
on
o
f nslab
s
in reduce_
o
utput
when multip
l
e
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Car
s
ten Kutzner
R
emoved // style
comment
s
commit
|
commitdiff
|
tree
2009-08-20
Car
s
t
en Kut
z
ner
Ini
t
ia
l
commit of en
f
orce
d
rotation add-on
commit
|
commitdiff
|
tree
2009-08-20
Cars
t
e
n
Kutzner
St
a
rt
e
d new branch
'rotation' for
enforced rotation
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carsten Kutzner
Fixed un
i
nitialized va
r
i
a
b
l
e in g
m
x_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
C
arsten Kutzner
M
e
r
g
e bran
c
h 'master' of git@git
.
gromac
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-07-29
Car
s
ten Kutz
n
er
Mer
g
e branch 'master' of
g
it@g
i
t
.
g
romacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-07-28
C
a
rsten Kutzner
set init_step on pme only nodes
when coun
t
er
r
esett
i
ng
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carst
e
n Kutzner
Counter res
e
tting also
o
n the PME only node
s
commit
|
commitdiff
|
tree
2009-07-16
Carsten Kut
z
ner
Check md
.
log to ensure
G
MX_RESET_C
O
U
N
T
E
R
S w
a
s passed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Ca
r
sten Kutzner
C
h
eck whether mpirun accepts -x option
commit
|
commitdiff
|
tree
2009-07-15
Cars
t
en Kut
z
ner
Merge
b
ranch 'maste
r
'
of git
@
g
i
t
.
gromacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2009-07-15
C
a
rste
n
Kutz
n
er
Several improvemen
t
s to
gmx_tune
_
pme
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzne
r
Merge branch 'm
a
s
ter' of git@g
i
t
.
g
r
omacs
.
o
rg:gro
m
acs
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzn
e
r
R
emo
v
ed unu
s
ed m_rvec* functions in vec
.
h
(
unnee
d
ed
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n Kutzne
r
Made the opt
i
on
a
l
G
M
X_BARRI
E
R
S w
o
rk with separ
a
t
e PM
E
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carste
n
Kut
z
ner
O
utp
u
t the corre
c
t number
o
f files in read
_
tpr
_
pullxf_files
commit
|
commitdiff
|
tree
2009-06-23
Cars
t
en
Kutz
n
er
Fixed check_oo memor
y
corruption problem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzner
Merge br
a
nch 'maste
r
' of git@git
.
gromacs
.
o
rg
:
gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzner
Removed a
l
l
static variables in edsa
m
.
c
commit
|
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|
tree