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Enforced rotation: moved all helper variables of inputrec data structures to abstract...
2009-10-14
Carst
e
n Kutz
n
er
Enforce
d
rotat
i
o
n
:
m
ove
d
all help
e
r variabl
e
s o
f
input
r
ec
.
.
.
commit
|
commitdiff
|
tree
2009-09-22
Carsten Kutz
n
er
Enforced
rotation: smarter way to determine
r
elevant
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
Carst
e
n Kutzner
Merge branch
'm
a
ster' into rotat
i
on
commit
|
commitdiff
|
tree
2009-09-21
C
a
rsten Kutzner
Enforce
d
rotation: Another
m
inor optimization in
d
o_flex
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
C
a
r
s
ten Kutzner
E
n
f
orce
d
rotatio
n
: Mino
r
perform
a
nce o
p
timizat
i
on i
n
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutzner
Merge branch 'm
a
ster' of gi
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-16
Carsten
K
utzne
r
Fixed for
m
at
c
onversions in gm
x
_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-09-15
C
ars
t
en Kutzne
r
Merge branch 'master
'
into
rotation
commit
|
commitdiff
|
tree
2009-09-15
Ca
r
ste
n
Kutzner
Enforc
e
d rotat
i
on: new type 'followplane', plus fixed
.
.
.
commit
|
commitdiff
|
tree
2009-09-07
Ca
r
s
t
e
n Kutzner
E
dsa
m
: Added t
h
e possibility
t
o flood toward
s
a certain
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
C
arsten Kut
z
n
e
r
E
n
f
o
r
ced ro
t
a
tio
n
: made fit
type
co
n
trollable by mdp
.
.
.
commit
|
commitdiff
|
tree
2009-09-03
Cars
t
en
Kutzner
Merge branch
'
m
aster'
i
nto rotation
commit
|
commitdiff
|
tree
2009-09-03
Carsten Kut
z
ner
Enforced rotatio
n
: r
o
tation output fi
l
e names can now
.
.
.
commit
|
commitdiff
|
tree
2009-09-02
Carsten Kutzner
Enforced rotation: add
e
d
type 'fixedplane'
commit
|
commitdiff
|
tree
2009-08-28
Carsten
Kutzner
En
f
o
r
ced r
o
tatio
n
: sim
p
lified
c
alcu
l
ations in
d
o_fl
e
x_l
o
wlev
e
l
commit
|
commitdiff
|
tree
2009-08-24
Carsten
K
u
t
zner
Merged in chang
e
s f
r
om master branch
commit
|
commitdiff
|
tree
2009-08-24
Carsten Kutzner
Renamed rotati
o
n
.
{c,h} to
pull_ro
t
ation
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
Clearer out
p
ut when multi
p
le g
r
o
u
ps a
r
e r
o
ta
t
e
d
commit
|
commitdiff
|
tree
2009-08-20
Carsten
K
u
tzner
Fixe
d
calcul
a
t
i
on of nslabs in reduce_output when multiple
.
.
.
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzner
R
e
moved //
s
t
yle comments
commit
|
commitdiff
|
tree
2009-08-20
Carsten Kutzne
r
In
i
tial commi
t
of enfo
r
ced ro
t
a
tion add-on
commit
|
commitdiff
|
tree
2009-08-20
Carsten
K
utzner
Started new branch
'
r
o
tation' for enforced
r
otati
o
n
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
C
a
rsten Kutz
n
er
Fixed uninitialized variable i
n
gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten Kutzner
M
e
r
g
e branch 'ma
s
ter' of git@
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-29
Carsten Kutzner
Merge br
a
nch 'master'
o
f git@git
.
g
r
oma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
C
ars
t
en Kut
z
n
e
r
set init_step on pme
o
nly node
s
when counter
resetting
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carsten Kut
z
ner
Count
e
r reset
t
in
g
also on the
P
ME o
n
l
y
nodes
commit
|
commitdiff
|
tree
2009-07-16
Carste
n
Kutzner
Check md
.
log
to
e
nsure
G
MX_RESE
T
_
C
O
U
NTERS w
a
s pas
s
ed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Cars
t
en Kut
z
ner
C
heck wheth
e
r
m
pirun
accepts
-
x option
commit
|
commitdiff
|
tree
2009-07-15
Ca
r
sten Kutzner
Merge bra
n
ch
'
maste
r
' o
f
git@git
.
g
r
omacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-07-15
Carsten Kutzn
e
r
Several improvements to gmx
_
tune_
p
m
e
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
Mer
g
e
branch
'
master' of
git@git
.
gro
m
acs
.
o
r
g:gr
o
m
a
c
s
commit
|
commitdiff
|
tree
2009-07-07
Car
s
ten K
u
tzner
Removed unused m_rvec*
functions in vec
.
h (unnee
d
ed
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Car
s
ten K
u
tzner
Made
t
he
o
pti
o
n
al
GMX_BAR
R
IE
R
S w
o
rk
w
i
th
se
p
arate PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Ca
r
sten Kutzner
Outp
u
t t
h
e correc
t
num
b
er
of
f
iles in read_tpr_pull
x
f_files
commit
|
commitdiff
|
tree
2009-06-23
Carsten
K
utzner
Fixed chec
k
_
o
o memo
r
y
c
orruptio
n
pro
b
lem
commit
|
commitdiff
|
tree
2009-06-22
Carsten Kutzner
Merge br
a
nch
'
m
a
ster' of
g
it
@
git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzner
Removed all static v
a
riables in e
d
sam
.
c
commit
|
commitdiff
|
tree