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Enforced rotation: Another minor optimization in do_flex[1,2]_lowlevel
2009-09-21
Carsten Kutzner
Enfo
r
ced rotati
o
n
:
Another minor op
t
imizat
i
o
n
i
n
d
o
_flex
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
C
a
rsten Kutzner
Enforced rotation: Minor
p
erformance op
t
imizati
o
n in
.
.
.
commit
|
commitdiff
|
tree
2009-09-15
C
ar
s
ten Kutzner
Merge b
r
an
c
h 'ma
s
ter
'
into
r
otati
o
n
commit
|
commitdiff
|
tree
2009-09-15
Ca
r
sten Kut
z
ner
Enfor
c
ed
rot
a
tion: new type 'followpl
a
ne',
p
lus fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
C
a
rsten Ku
t
zne
r
Edsam:
A
d
d
ed t
h
e poss
i
bility to flo
o
d towards a
certain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kut
z
ner
Enforced rotati
o
n
:
made fit type controllable by mdp
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kutzner
Merge branch 'ma
s
ter'
i
nto rotat
i
on
commit
|
commitdiff
|
tree
2009-09-03
Ca
r
st
e
n
Kutzn
e
r
E
nforced rotation: rotation ou
t
put file names can now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Carsten Kutz
n
er
Enfo
r
ce
d
rot
a
tion: a
d
d
ed
t
ype 'fixedplane'
commit
|
commitdiff
|
tree
2009-08-28
Carsten
K
utzner
Enfor
c
ed rotation:
simp
l
i
f
ied calculations
in
do_
f
l
e
x
_lowleve
l
commit
|
commitdiff
|
tree
2009-08-24
Carst
e
n Kutzner
Merged in changes f
r
o
m
m
ast
e
r branc
h
commit
|
commitdiff
|
tree
2009-08-24
Ca
r
sten Kutz
n
er
Re
n
amed rotation
.
{
c,h} to pull_rotation
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzne
r
C
l
ea
r
er
o
utput w
h
en multiple groups are rotated
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
F
ixed calculation of nsl
a
bs in redu
c
e_output when
multipl
e
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Removed // style comments
commit
|
commitdiff
|
tree
2009-08-20
Carste
n
K
u
tzne
r
Initial
c
ommit of enforced r
o
ta
t
ion add-
o
n
commit
|
commitdiff
|
tree
2009-08-20
Carsten
K
u
tz
n
e
r
Started new
branch 'rotat
i
on' f
o
r enforced rotation
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carst
e
n Kutz
n
e
r
Fixed u
n
i
nitialize
d
varia
b
le in gmx_
t
u
n
e_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten Kutzner
Merge branch 'mast
e
r' of
g
it@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-29
Carsten
K
ut
z
ner
Merge branch 'ma
s
ter' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten Kutzner
set in
i
t_step on pm
e
only no
d
es when counter resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Ca
r
s
ten
K
utzner
C
o
unter
r
esetting also on the
P
ME only
n
o
de
s
commit
|
commitdiff
|
tree
2009-07-16
Carsten Kut
z
ner
Check md
.
l
og
t
o ensure
G
M
X_RESET_COUNTERS wa
s
p
a
sse
d
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Car
s
te
n
Ku
t
zner
Chec
k
whe
t
her mpirun ac
c
epts -x option
commit
|
commitdiff
|
tree
2009-07-15
Car
s
ten
K
utzner
Mer
g
e
branch '
m
aster' of g
i
t@git
.
gromac
s
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-07-15
Carsten
K
utzner
Sev
e
ral improv
e
m
en
t
s to gmx_tune_pme
commit
|
commitdiff
|
tree
2009-07-07
Car
s
ten Ku
t
z
n
e
r
Me
r
ge bra
n
c
h
'master' o
f
g
it@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-07-07
Carst
e
n Kutz
n
e
r
R
e
moved unused m_rvec* functions in vec
.
h (unneed
e
d
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutz
n
er
Made the
o
pt
i
o
n
al
GMX_BARR
I
E
R
S work with
s
e
parate
PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Car
s
ten Kutzner
O
u
tp
u
t the correct number of files
i
n rea
d
_tpr_pullx
f
_files
commit
|
commitdiff
|
tree
2009-06-23
Carste
n
K
utzner
Fixed
c
he
c
k_oo m
e
mory corrupti
o
n pr
o
blem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Ku
t
zner
Merg
e
branch 'ma
s
ter
'
of g
i
t@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzner
R
e
moved all s
t
a
t
ic variables
i
n edsam
.
c
commit
|
commitdiff
|
tree
