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Added globsig.h to include/types/Makefile.am
2011-07-06
Car
s
ten Kutzner
Added globsig
.
h to include/types/
M
ake
f
ile
.
am
commit
|
commitdiff
|
tree
2011-05-30
Carsten K
u
t
z
ner
F
l
oodin
g
as harm
.
r
estraint: Abo
r
t when
o
rigin posit
i
on
.
.
.
commit
|
commitdiff
|
tree
2011-03-30
Cars
t
en Ku
t
zner
Chec
k
s for zero-mass a
t
oms
in ED, better
o
r
d
ering of
.
.
.
commit
|
commitdiff
|
tree
2011-03-03
Carsten Ku
t
zne
r
F
i
x
ed wro
n
g e
r
r
o
r message when using flooding c
o
de
.
.
.
commit
|
commitdiff
|
tree
2011-03-01
Carsten K
u
tzner
Fixed
b
ug
#
714:
d
eprec
a
ted
s
t
r
ucture in gettimeofday
commit
|
commitdiff
|
tree
2011-02-25
C
a
rs
t
en Kutzner
Corr
e
cted output of
a warning
message
.
commit
|
commitdiff
|
tree
2011-02-25
Cars
t
en Kutz
n
e
r
Added the
-fix
opt
i
on to
g_tu
n
e
_
pme for tuning o
f
rcoulomb
.
.
.
commit
|
commitdiff
|
tree
2011-02-16
Carste
n
Kutzner
M
e
r
g
e b
r
anc
h
'release-4-5-patches' of
g
it
.
g
r
omacs
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2011-02-16
Car
s
t
e
n
Kutzne
r
Fixed in
t
overflow happening i
n
genion when number
.
.
.
commit
|
commitdiff
|
tree
2011-01-04
ckutzne
Fixed inconvenien
t
output fil
e
n
ames i
f
-sep is
used
.
.
.
commit
|
commitdiff
|
tree
2010-12-02
c
k
utzne
Fixed typo
.
commit
|
commitdiff
|
tree
2010-10-29
Carsten
K
utzner
Fixed segv
in gmx_hbo
n
d
commit
|
commitdiff
|
tree
2010-10-22
Carsten Kutz
n
e
r
Fixed seg
v
in g_
p
otential
.
Field output has now
also
.
.
.
commit
|
commitdiff
|
tree
2010-01-26
Carsten
Kutzner
Fix
e
d segv in
m
ake_edi when no
r
e
fe
r
ence structur
e
.
.
.
commit
|
commitdiff
|
tree
2010-01-26
Ca
r
sten Ku
t
zner
Fix
e
d segv in ma
k
e_edi w
h
en
no referen
c
e
structure
.
.
.
commit
|
commitdiff
|
tree
2010-01-18
Cars
t
en Kutzne
r
Resubmi
t
ted changes t
h
at were accidentally undone
b
y
.
.
.
commit
|
commitdiff
|
tree
2010-01-13
Carsten
K
u
t
z
ner
Merge branch 'm
a
st
e
r' o
f
git@git
.
gr
o
macs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-01-13
Ca
r
sten
Ku
t
zner
Moved routines that collect
g
roup coord
s
for c
o
mpa
r
ison
.
.
.
commit
|
commitdiff
|
tree
2009-12-21
C
a
rsten Kutzner
Merge bra
n
c
h
'master' of git@git
.
gro
m
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-12-21
Carsten Kutzner
Ess
e
n
tial dynamics:
f
i
x
e
d
se
g
faul
t
when us
i
n
g
s
d
2
inte
g
rator
commit
|
commitdiff
|
tree
2009-12-21
Cars
t
e
n
Kutzner
Essential dynamics: fixed segfault when us
i
ng sd2 integrato
r
commit
|
commitdiff
|
tree
2009-11-30
Carsten Kutzner
g_tune_pme
n
ow
d
oes
p
ro
p
e
r
cleanup
a
lso
w
ith pull simulations
commit
|
commitdiff
|
tree
2009-10-21
Ca
r
sten Ku
t
zner
g
_tu
n
e_pme now also ac
c
epts < 3 nodes, also out
p
uts
.
.
.
commit
|
commitdiff
|
tree
2009-10-12
Car
s
t
en
Kutzne
r
Merge
bra
n
ch 'mas
t
er' of git@git
.
groma
c
s
.
o
rg
:
gro
m
ac
s
commit
|
commitdiff
|
tree
2009-10-12
Carsten Kutzner
c
ycle counters can now be r
e
s
e
t by a (hidde
n
) mdrun
.
.
.
commit
|
commitdiff
|
tree
2009-09-16
Carsten Kutzn
e
r
Merg
e
branch 'master
'
of g
i
t@git
.
g
r
om
a
cs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-09-16
C
arsten
Kutzner
Fixed format conve
r
sions in gmx_t
u
ne_pme
.
c
commit
|
commitdiff
|
tree
2009-09-07
C
arsten Kutzner
Edsam: Added the possi
b
ility to flo
o
d t
o
ward
s
a
certain
.
.
.
commit
|
commitdiff
|
tree
2009-08-11
Carsten Kutzner
Fixed uni
n
itial
i
z
ed vari
a
ble in gmx_tune_pme
.
c
commit
|
commitdiff
|
tree
2009-07-30
Carsten Kut
z
n
er
M
e
rge br
a
nch 'master'
o
f git@git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-07-29
Carst
e
n
Kutzner
Me
r
ge branch 'master' of git@gi
t
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-28
Carsten Kut
z
ner
set
i
n
it_step on
pme only no
d
es when cou
n
ter resetti
n
g
.
.
.
commit
|
commitdiff
|
tree
2009-07-27
Carste
n
K
u
t
z
ner
Cou
n
t
e
r
reset
t
ing also
on the PME onl
y
nodes
commit
|
commitdiff
|
tree
2009-07-16
Cars
t
en Kutzne
r
Check md
.
log to ensur
e
GMX
_
R
E
SET_COUNTERS was passed
.
.
.
commit
|
commitdiff
|
tree
2009-07-15
Car
s
te
n
K
u
tzner
Check wh
e
ther mpir
u
n accep
t
s
-x option
commit
|
commitdiff
|
tree
2009-07-15
C
arste
n
K
u
t
z
n
er
Merge bran
c
h
'master' of g
i
t@git
.
groma
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-07-15
Carsten K
u
tz
n
e
r
S
e
ver
a
l
im
p
rove
m
ents to gm
x
_tune_pme
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kut
z
n
e
r
M
e
r
g
e
branch 'mas
t
e
r
'
of
git
@
git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-07
Cars
t
en Kutzner
Removed
u
n
used
m_rvec* functions
i
n
ve
c
.
h (unneeded
.
.
.
commit
|
commitdiff
|
tree
2009-07-07
Carsten Kutzner
Ma
d
e
the op
t
ional
G
MX_BARR
I
ERS work with separa
t
e PME
.
.
.
commit
|
commitdiff
|
tree
2009-07-06
Carst
e
n K
u
tzner
Outp
u
t
t
h
e
corr
e
ct number of files in r
e
ad_tpr_pullxf_fil
e
s
commit
|
commitdiff
|
tree
2009-06-23
Cars
t
en Kutz
n
er
Fixe
d
c
he
c
k_oo m
e
m
o
r
y c
o
rrupt
i
on problem
commit
|
commitdiff
|
tree
2009-06-22
C
a
rsten Kutzner
Merge branch 'master'
o
f git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-06-19
Carsten Kutzner
Rem
o
v
ed all st
a
tic variables in ed
s
am
.
c
commit
|
commitdiff
|
tree