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Merge "Merge release-4-5-patches into release-4-6" into release-4-6
2012-03-15
C
hristoph Ju
n
ghans
Merge
"Clarified wording o
f
documen
t
ation"
into release
.
.
.
commit
|
commitdiff
|
tree
2012-03-13
Christop
h
Junghans
Merge "Vibration sp
e
ctra from velocity ACF or Normal
.
.
.
commit
|
commitdiff
|
tree
2012-03-12
Christoph
J
u
n
ghans
Merge "More edi
t
ori
a
l fixes
to tool
d
ocumentat
i
on"
.
.
.
commit
|
commitdiff
|
tree
2012-03-08
Christoph Junghan
s
Make fi
n
ite checks remem
b
er t
h
eirs result
s
commit
|
commitdiff
|
tree
2012-03-08
Christoph
Jungha
n
s
Improve
F
i
ndFFTW
commit
|
commitdiff
|
tree
2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-02-15
C
hri
s
toph Ju
n
gha
n
s
Removed F
F
Tw2 support
commit
|
commitdiff
|
tree
2012-02-10
C
hristoph Junghans
Merg
e
"Fixed bug with COM motion remov
a
l on part of
.
.
.
commit
|
commitdiff
|
tree
2012-02-10
C
hristoph Junghans
Cm
a
k
e: unite FindFFT
W
3* into o
n
e f
i
le
commit
|
commitdiff
|
tree
2012-02-08
Christop
h
Junghans
Merge "fixed confu
s
ing nonb
o
n
d
ed kernel pointer in
i
tializati
.
.
.
commit
|
commitdiff
|
tree
2012-02-01
Chri
s
toph Junghans
init
i
alize adress_do_hy
b
ridpa
i
rs=FAL
S
E
b
y
defau
l
t
commit
|
commitdiff
|
tree
2012-02-01
Christoph Junghans
Merge
"
F
ix
si
g
n
ed/unsign
e
d warnings" into
r
e
lease-4
.
.
.
commit
|
commitdiff
|
tree
2012-01-25
Chris
t
oph Junghans
make gro
m
acs
m
a
nual build a
g
ain
commit
|
commitdiff
|
tree
2012-01-23
C
h
ristop
h
Junghans
document AdR
e
sS mdp options
commit
|
commitdiff
|
tree
2012-01-15
C
hristoph Jun
g
hans
Merg
e
"Added CMake Toolchain file
f
or Blu
e
Gene/P" into
.
.
.
commit
|
commitdiff
|
tree
2012-01-14
Christo
p
h Junghans
CM
a
ke
i
mpro
v
ements
commit
|
commitdiff
|
tree
2012-01-10
Christoph
J
ungha
n
s
Ad
d
s
A
d
ResS feat
u
r
e
to gromacs
commit
|
commitdiff
|
tree
2012-01-04
C
hristoph Junghans
Merge
"
Do
c
ument
e
d t
h
e func
t
i
o
n
of g_
c
lu
s
ter -cl -noav
.
.
.
commit
|
commitdiff
|
tree
2011-12-19
C
h
ristoph Junghans
Set GMX_*_ASM true if GMX_ACCELER
A
TION != auto
commit
|
commitdiff
|
tree
2011-11-08
Christ
o
ph Junghans
Merge
"
Fixed b
u
g #830 (segv in do_dssp)"
into release
.
.
.
commit
|
commitdiff
|
tree
2011-10-20
Christoph Jung
h
a
ns
Merge "Changed
d
ef
a
ult value for g_anaeig -last to
.
.
.
commit
|
commitdiff
|
tree
2011-10-20
Christoph J
u
nghans
Merge "Fix
e
s f
o
r GB kernel" into release-4-5-patches
commit
|
commitdiff
|
tree
2011-10-20
Christoph
Jungh
a
ns
Merge
"Add CMakeLists
.
txt
.
user to g
i
tignore" into release-4-6
commit
|
commitdiff
|
tree
2011-10-15
Christoph
Junghans
Merge "
F
ixes MPI_GROUP_EMPTY f
o
r tMPI" into
r
e
l
ease-4-6
commit
|
commitdiff
|
tree
2011-07-01
Christoph Junghans
dl lib wa
s
mis
s
ing in libgmx
.
pc
i
f
G
MX_
D
LOPEN is e
n
abled
commit
|
commitdiff
|
tree
2011-06-16
Christoph
J
un
g
hans
cma
k
e: re
n
ame
L
IB to G
M
XLIB to avoid conflict wit
h
.
.
.
commit
|
commitdiff
|
tree
2011-06-09
Christoph
Ju
n
ghan
s
Merge bran
c
h 'release-4-5-patches' of git:
/
/git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2011-06-09
Ch
r
istoph Junghans
Ad
d
ed a comm
e
nt whe
r
e bPho
b
ics comes
f
rom
commit
|
commitdiff
|
tree
2011-06-08
Christoph Junghan
s
re
m
o
v
ed d
u
plica
t
ed bPhobics function (thx t
o
Francois
.
.
.
commit
|
commitdiff
|
tree
2011-06-08
Christoph Junghans
cmake: remove se
l
ect
i
on/te
s
t
*
from gmxlib sources
commit
|
commitdiff
|
tree
2011-03-03
Christoph
J
un
g
hans
fixed a
t
ypo
i
n cmake
pkg-con
f
i
g fi
l
es
commit
|
commitdiff
|
tree
2011-01-23
Christoph Jung
h
an
s
cmake: added
G
MX_XML to fully disable xml support
commit
|
commitdiff
|
tree
2011-01-23
C
h
r
i
stop
h
J
unghans
cmake: add
s
upport for exter
n
al
b
l
a
s/lap
a
ck
commit
|
commitdiff
|
tree
2010-12-10
Christ
o
ph
Jungha
n
s
Fixed wrong pa
t
h or
d
ering in GMX
.
b
ash
i
ntroduc
e
d in
.
.
.
commit
|
commitdiff
|
tree
2010-11-29
Chri
s
toph Junghans
GMXRC
.
* - fixed bug #614
commit
|
commitdiff
|
tree
2010-11-29
Christo
p
h Jungha
n
s
added pow
e
r6 flag
s
f
rom Markus Rampp
commit
|
commitdiff
|
tree
2010-11-24
Christoph Jungh
a
ns
con
f
igure: bu
i
ld shared libs unless mpi e
n
a
b
led (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-08
Christoph
Junghans
C
M
ake: another for
t
ran
f
ix
commit
|
commitdiff
|
tree
2010-10-06
Chri
s
toph
J
unghans
CMake: fortran fix
commit
|
commitdiff
|
tree
2010-10-05
C
h
ristoph Junghans
cmake
:
give o
p
e
nmm d
e
fault suffixes
commit
|
commitdiff
|
tree
2010-10-05
Christ
o
ph Junghans
cmake:
i
ns
t
all-mdrun
should not install pkg-config
.
.
.
commit
|
commitdiff
|
tree
2010-09-30
Christoph Junghans
c
o
nfi
g
ur
e
: added '--di
s
able-la-files' o
p
tion
commit
|
commitdiff
|
tree
2010-09-17
Christoph Jun
g
h
ans
c
o
nfigure: pow
e
r6 and
f
ortra
n
can now be
e
n
a
b
led at
.
.
.
commit
|
commitdiff
|
tree
2010-09-17
Christoph
J
unghans
config
u
re: f
o
rtran
kernels can also be compi
l
ed with
.
.
.
commit
|
commitdiff
|
tree
2010-09-15
Christoph
Junghans
conf
i
gu
r
e: added mi
s
si
n
g
q
u
otes
commit
|
commitdiff
|
tree
2010-09-15
Christoph Junghan
s
Fixed synchronization count
e
r u
p
da
t
e for pwr6 kernel
s
commit
|
commitdiff
|
tree
2010-08-30
Christoph Jun
g
h
a
ns
f
i
xed Template
.
mak
commit
|
commitdiff
|
tree
2010-08-30
C
h
risto
p
h Jung
h
a
n
s
fixe
d
a
typo
in o
l
d l
i
bxdrf fortra
n
wrapper
commit
|
commitdiff
|
tree
2010-08-30
Christ
o
p
h
Jungha
n
s
forcerec
.
c:
a
dd
e
d
missing in
t
commit
|
commitdiff
|
tree
2010-08-27
Chri
s
toph
J
un
g
hans
add
e
d
a
missing
i
nclude
to sighand
l
e
r
.
h
commit
|
commitdiff
|
tree
2010-08-23
Christoph Junghans
fixed 2 typos in headers
commit
|
commitdiff
|
tree
2010-08-23
Christop
h
J
unghans
Fixed threads flags
in p
c
files for autotools
commit
|
commitdiff
|
tree
2010-08-18
Ch
r
istoph Jun
g
han
s
cmake: do not s
u
ffix scripts
commit
|
commitdiff
|
tree
2010-08-18
Ch
r
istoph Junghans
cm
a
ke: add so versio
n
t
o libs
commit
|
commitdiff
|
tree
2010-08-18
C
h
ristoph J
u
ng
h
ans
cmake: make de
m
u
x
.
pl and
xplor
2
gmx
.
p
l being installed
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
C
h
ristoph J
u
nghans
po
r
t lib suffi
x
es
t
o cmake
commit
|
commitdiff
|
tree
2010-08-17
Christoph Jungh
a
n
s
sto
r
e custom GMX defines in pkgconfig f
i
le
s
for cmake
commit
|
commitdiff
|
tree
2010-08-17
Christoph Jung
h
ans
fixed
s
om
e
o
u
t of srcdir b
u
ild
issue with cmake an
d
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
Christo
p
h
Jungh
a
ns
store cust
o
m GMX defines in pkgc
o
nfig files for autotools
commit
|
commitdiff
|
tree
2010-08-17
Christoph Junghans
spl
i
t libs
i
n
T
e
m
pl
a
t
e
.
mak
commit
|
commitdiff
|
tree
2010-08-17
Christoph
Junghans
mak
e
cmake install a CMake
L
i
s
ts
.
txt for the t
e
m
plate
.
.
.
commit
|
commitdiff
|
tree
2010-08-02
Christoph Junghans
make GMXR
C
.
{bash,csh,zsh} e
x
port PKG_CO
N
FIG_PATH
commit
|
commitdiff
|
tree
2010-08-02
C
h
ristoph Junghans
fi
x
ed linki
n
g
o
f
i
nputrec
.
h
commit
|
commitdiff
|
tree
2010-07-30
Christoph Jung
h
ans
cmake: make GSL fully option
a
l
commit
|
commitdiff
|
tree
2010-07-30
Christoph Jun
g
hans
m
e
rge
d
p
arts of the
d
eb
i
an patch set
commit
|
commitdiff
|
tree
2010-07-30
C
h
ris
t
op
h
J
u
nghans
r
e
moved o
l
d
m
otif stuff from s
t
atutil
.
h
commit
|
commitdiff
|
tree
2010-07-30
C
h
r
istoph Ju
n
ghans
remove s
o
me deprecated he
a
ders
,
w
hic
h
a
r
e
no
t
u
s
ed
.
.
.
commit
|
commitdiff
|
tree
2010-07-30
C
h
risto
p
h Jun
g
hans
switched to t
h
e
right
gsl
d
efine
(HAV
E
_
L
IBGSL) in cmake
.
.
.
commit
|
commitdiff
|
tree
2010-07-30
Christo
p
h Jungha
n
s
added
ri
g
ht
t
hreads flag
in
cmake pk
g
-co
n
fig
f
iles
commit
|
commitdiff
|
tree
2010-07-29
Christ
o
ph J
u
nghans
cmake
creates
pc files
now
commit
|
commitdiff
|
tree
2010-07-29
Chr
i
sto
p
h Ju
n
ghans
te
l
l
acl
o
cal abo
u
t config dir
commit
|
commitdiff
|
tree
2010-07-29
C
h
r
i
stoph J
u
ngh
a
n
s
M
e
rge branch 'master' of git://
g
it
.
gromacs
.
org/groma
c
s
commit
|
commitdiff
|
tree
2010-07-29
Christoph Junghans
added configure check for
'ln -s'
commit
|
commitdiff
|
tree
2010-07-28
Christoph
Junghans
Merge branch 'master' of git
:
//git
.
gr
o
m
a
cs
.
org/
g
romacs
commit
|
commitdiff
|
tree
2010-07-28
Christoph Junghans
updated
temp
l
ate p
r
ogra
m
to new hea
d
e
r sty
l
e and
adde
d
.
.
.
commit
|
commitdiff
|
tree
2010-07-28
C
h
ri
s
toph Jungh
a
n
s
added small script to check fo
r
u
sability of he
a
d
e
rs
commit
|
commitdiff
|
tree
2010-07-28
Chri
s
t
o
ph Jungha
n
s
fixed rest of inc
l
u
de typos in hea
d
ers
commit
|
commitdiff
|
tree
2010-07-28
C
h
ris
t
oph Jun
g
hans
f
ixed
s
ome in
c
l
ude typ
o
s in heade
r
s
commit
|
commitdiff
|
tree
2010-07-27
Chr
i
st
o
ph Jung
h
a
n
s
added -no-un
d
e
fined to LDFLAGS of a
l
l
li
b
s
commit
|
commitdiff
|
tree
2010-07-27
Christoph Junghans
ma
k
e
-
-enab
l
e-
p
ower6
c
ompile again
(bug #475)
commit
|
commitdiff
|
tree
2010-07-22
Christoph Junghans
fixed some in
c
l
ude ty
p
os
in headers
commit
|
commitdiff
|
tree
2010-02-26
Christoph
J
ung
h
a
ns
Install pkgconfig files for libraries (bug #370)
.
commit
|
commitdiff
|
tree
2010-02-18
Christoph
J
unghans
Dep issues wi
t
h lib
g
mxpreprocess (#392, #395)
.
commit
|
commitdiff
|
tree