repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Added more docs and tests to EnumerationArray
2020-01-15
Christoph
Ju
n
ghans
cmake:
i
n
stall p
b
c
.
h for GMX_INSTALL_LEGACY_
A
PI
commit
|
commitdiff
|
tree
2020-01-13
Christoph Junghans
gmxManag
e
MPI
.
cmake:
convert
M
PI FLAGS to lists
commit
|
commitdiff
|
tree
2019-12-24
Christoph
J
u
ng
h
ans
cmake: f
i
x missing h
e
a
de
r
fo
r
l
e
ga
c
y api
commit
|
commitdiff
|
tree
2019-10-01
Chri
s
top
h
Jun
g
hans
cmake: add
missin
g
header
to legac
y
api
commit
|
commitdiff
|
tree
2019-09-22
Ch
r
istoph J
u
nghans
work
a
r
ound for
r
hel bug #
1
749
4
6
3, cmake bug #18349
commit
|
commitdiff
|
tree
2019-09-13
Chri
s
t
oph Ju
n
ghan
s
cm
a
ke: add
o
p
t
ion to install
l
egacy heade
r
s
commit
|
commitdiff
|
tree
2019-01-22
C
h
ristoph Junghans
gm
x
Man
a
g
e
Lmfi
t
.
cmake
:
enforce usage of 7
.
0
commit
|
commitdiff
|
tree
2019-01-04
C
hr
i
stoph Junghans
gmxMan
a
geLm
f
i
t
.
cmake: enfo
r
ce usage
of 7
.
0
commit
|
commitdiff
|
tree
2017-09-05
Christoph
J
u
n
ghans
Supported quiet traj
e
ctory-handling I/O
commit
|
commitdiff
|
tree
2016-11-10
Christoph J
u
nghans
cm
a
ke: fix build with GMX_EXTERNAL_TNG
=
ON
commit
|
commitdiff
|
tree
2015-12-12
Ch
r
istoph Junghans
AdResS: lost perfo
r
m
a
nce t
w
ea
k
commit
|
commitdiff
|
tree
2014-11-26
Christoph Jung
h
ans
Merge release-5-0 in
t
o master
commit
|
commitdiff
|
tree
2014-11-21
Christ
o
ph Jung
h
ans
Added
.
travis
.
y
m
l
commit
|
commitdiff
|
tree
2014-09-04
Christ
o
ph Jun
g
hans
cma
k
e
:
m
i
ssing
q
uote
commit
|
commitdiff
|
tree
2014-03-11
Christoph Jungha
n
s
Install enums
.
h
commit
|
commitdiff
|
tree
2014-03-01
Chr
i
stoph Jung
h
ans
sw
i
t
c
h
ld_see
d
from i
n
t
to
gmx_int64_t
commit
|
commitdiff
|
tree
2014-02-20
Christoph Junghans
ad
d
e
d
gmx_is
_
{single,double}_precision
commit
|
commitdiff
|
tree
2014-02-03
Christ
o
ph Junghans
c
m
ake eat
s
slashes
commit
|
commitdiff
|
tree
2014-01-28
C
h
r
i
s
to
p
h Junghans
c
m
a
k
e: added FFTW
_
U
R
L to al
l
ow easy offline b
u
ild
commit
|
commitdiff
|
tree
2013-12-29
Christoph Junghans
c
m
ake: make GMX_BU
I
LD_OW
N
_FFTW work witho
u
t
f
ortran
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
Christoph Junghans
re-add C
a
rsten & m
e
to the copyrite
commit
|
commitdiff
|
tree
2013-10-03
Christoph Jungh
a
ns
Fix
parallel b
u
ild f
o
r
GMX_BUI
L
D_OW
N
_
F
FTW
commit
|
commitdiff
|
tree
2013-09-26
Ch
r
istop
h
Junghan
s
Drop md
5
sum che
c
k for GMX_B
U
ILD_OWN_FF
T
W
commit
|
commitdiff
|
tree
2013-07-30
Chri
s
toph Ju
n
gh
a
ns
cmak
e
: Im
p
rove some error mes
s
a
ges
commit
|
commitdiff
|
tree
2013-07-06
C
hrist
o
ph Ju
n
gha
n
s
more pkg-confi
g
f
i
xes
commit
|
commitdiff
|
tree
2013-07-04
Christoph Jun
g
han
s
Fixed som
e
inconsisten
c
ies in pkg
-
co
n
fig files
commit
|
commitdiff
|
tree
2013-05-15
Ch
r
istoph
Ju
n
ghans
M
erge "fi
x
ed incorrect scalin
g
of
cos-acc
e
leration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Christoph
Junghans
improve buil
d
with OpenMM, s
t
ill not 100% fi
x
ed
commit
|
commitdiff
|
tree
2013-04-29
Christoph Junghans
Merge
"Fix another b
u
g
in sele
c
tion subexpression
h
a
n
d
ling
.
"
commit
|
commitdiff
|
tree
2013-04-29
Christoph Jungha
n
s
Merge "F
i
x bug in select
i
on subexpr
e
ss
i
on hand
l
ing
.
"
commit
|
commitdiff
|
tree
2013-04-26
Christoph Ju
n
gha
n
s
Me
r
ge "
v
-
re
s
cale works
w
ith t
a
u-t >=
0"
i
n
to r
e
lease-4-6
commit
|
commitdiff
|
tree
2013-04-16
C
hristoph J
u
nghans
Use
git snapshot
s
of the
t
ests if ar
e
on
g
it
commit
|
commitdiff
|
tree
2013-03-29
Chr
i
s
t
oph J
u
n
g
hans
Merge "Added install guide
s
e
c
tion for BLAS/LA
P
ACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Christoph Jungh
a
ns
Merge "
E
s
s
en
t
ia
l
dynamics: fixed legend in ED
.
x
vg
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Christoph
J
u
ngha
n
s
Merge "Uncru
s
tifi
e
d code changes s
i
nce 4
.
6"
i
nto
release-4-6
commit
|
commitdiff
|
tree
2013-02-26
Christoph Junghans
Merge "Merge release-4-6 i
n
to master"
commit
|
commitdiff
|
tree
2013-02-20
Chri
s
toph Jung
h
ans
Bump shar
e
d object
v
er
s
i
o
n to 8
commit
|
commitdiff
|
tree
2013-02-12
C
h
ristoph Jung
h
a
ns
Updated Fin
d
G
S
L
.
cmake
t
o version
w
ritt
e
n by
m
e
.
commit
|
commitdiff
|
tree
2013-02-05
Christoph Junghans
Me
r
ge "Docum
e
nted what GM
X
_CPU
_
A
CCELERATION reall
y
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Christoph J
u
nghan
s
i
mprove set
u
p of multiple tf tables
commit
|
commitdiff
|
tree
2013-02-02
Christoph Junghans
Fixed fl
o
p counti
n
g f
o
r generic cg/adress
kernels
commit
|
commitdiff
|
tree
2013-02-02
Christoph Jun
g
h
a
ns
cmake: fixe
d
typo in template CMake
L
ists
.
t
x
t
commit
|
commitdiff
|
tree
2013-01-25
Chris
t
op
h
Jun
g
h
a
n
s
fixed
c
opy
r
ight
of a
d
r
e
ss ke
r
nel
commit
|
commitdiff
|
tree
2013-01-25
C
h
r
i
s
t
oph Ju
n
ghans
Merg
e
"Mov
e
d
a
f
e
w commen
t
s
ba
c
k into pos
i
t
ion" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
C
hris
t
oph J
u
nghans
Merge "Set v
e
rsion
inf
o
for 4
.
6
.
x
r
elease series" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
Christoph Jun
g
hans
Re-licenced FindGROMACS
.
cmake (was wr
i
tten by me
)
commit
|
commitdiff
|
tree
2013-01-17
Christoph Ju
n
ghans
Merge "Added
not
e
abou
t
m
a
ke_edi and flo
o
ding
i
n ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
M
e
rge "use
the compiler version
p
ro
v
ided
by CM
a
ke
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Chr
i
stoph Junghans
Mer
g
e "note
the
r
e
a
son for aut
o
-disabling
G
PU
s
up
p
ort
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Chris
t
oph Junghans
clean
up fortran name man
g
l
ing
commit
|
commitdiff
|
tree
2013-01-16
C
hristoph Jungh
a
ns
Remove
debug statment
commit
|
commitdiff
|
tree
2013-01-15
Chr
i
s
toph Junghans
Merge "Add
e
d fata
l
e
r
ror for constraints
+ L
-
B
F
GS m
i
nimize
r
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
C
h
ri
s
toph Ju
n
ghans
Merge "
d
i
s
ab
l
e Open
M
P with all O
S
X gcc 4
.
2-based co
m
pilers
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Chri
s
top
h
Junghans
M
e
r
g
e "
R
emove unuse
d
bfu
n
c
.
h
.
" into release-4
-
6
commit
|
commitdiff
|
tree
2013-01-13
Christop
h
Jungh
a
ns
M
e
r
ge "Clarif
i
ed some co
m
me
n
ts & warnings abo
u
t thread
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph
J
unghans
M
e
r
g
e
"
Manag
e
BlueGen
e
/Q configuration" into
rele
a
s
e
-
4
-6
commit
|
commitdiff
|
tree
2013-01-13
Christo
p
h
Jungha
n
s
Merge "Re
-
o
r
ganize Bl
u
eGene toolchain fil
e
s" in
t
o release-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghans
Merge "Changed defaults for building
shared lib
r
aries
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
C
h
risto
p
h Jung
h
a
ns
Merge "Ad
d
ed missing export" into release-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christ
o
p
h
Jung
h
ans
Merg
e
"console and l
o
g o
u
tpu
t
i
mproveme
n
ts" into release-4-6
commit
|
commitdiff
|
tree
2013-01-11
C
h
ri
s
t
oph J
u
nghans
Merge "Fix
CUDA b
e
ing qui
e
t and mark all CUDA_* as
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Christ
o
ph J
u
nghans
Mer
g
e "Remove incorrect assert added by 05f9a740" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
C
h
ristoph Junghans
cmake: remo
v
e double-negati
v
e
quotes logic
commit
|
commitdiff
|
tree
2013-01-07
Chri
s
toph Jun
g
hans
Merge "Make gmx_cp
u
id
.
h s
e
lf-standing
.
" into release-4-
6
commit
|
commitdiff
|
tree
2013-01-03
Ch
r
is
t
oph Junghans
add
an opti
o
n
to not b
u
i
ld the templa
t
e
commit
|
commitdiff
|
tree
2013-01-03
Christ
o
p
h
Jungh
a
ns
Add missing defi
n
e
s to PKG_CFLAGS
commit
|
commitdiff
|
tree
2013-01-03
Christoph Jun
g
h
a
ns
Merge "
R
emove non-
f
unctional
P
o
w
erPC invsqrt
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Chri
s
toph
Junghans
cma
k
e: ad
d
opt
i
on t
o
ins
t
a
ll libmd as
l
i
b
gmxmd
commit
|
commitdiff
|
tree
2012-12-22
Christop
h
Junghans
cmake: mark F
F
TW
_
H
A
VE
_
{SI
M
D,AVX}
a
s advanced
commit
|
commitdiff
|
tree
2012-12-21
Chr
i
s
toph Ju
n
ghans
Me
r
ge "Rem
o
v
e
n
on-fu
n
ctional co
m
piler override for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Chri
s
t
oph Jung
h
ans
Merge "Fixed
AV
X
25
6
double
-
precision kernels fo
r
gcc
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christoph Junghans
cmake
:
added
o
ption to disable quote
s
commit
|
commitdiff
|
tree
2012-12-18
Christop
h
Ju
n
g
hans
Merge "
F
ixes r
e
dmine issue
#
1071
"
int
o
r
e
leas
e
-
4
-6
commit
|
commitdiff
|
tree
2012-12-17
Chri
s
toph
J
u
nghans
R
emo
v
e t
h
e r
e
st of
t
h
e
fo
r
tran/power6 acceleration
commit
|
commitdiff
|
tree
2012-12-13
Christoph Junghans
Merge
"
Ext
e
nded ge
n
b
o
x
to i
n
sert m
o
l
e
cules at give
n
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
Christoph Junghans
A
lways
b
uild te
m
plate program
commit
|
commitdiff
|
tree
2012-12-11
Christoph Junghans
Merge "Fix compilation with PGI
"
in
t
o
r
eleas
e
-
4
-6
commit
|
commitdiff
|
tree
2012-12-10
Christ
o
ph Jungha
n
s
Mer
g
e "force C++
linki
n
g of the gpu
_
utils" into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-12-05
Christ
o
ph Jung
h
ans
f
ixed
o
bso
l
et
e
gmx_fatal i
n
OpenMM build
commit
|
commitdiff
|
tree
2012-11-29
Christoph
Junghans
Merg
e
"P
r
int
error if no
t
hread
s
upp
o
rt is available
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Chr
i
stoph
J
ung
h
ans
Me
r
ge
"
F
ix cpack s
r
c ignore rule" i
n
to
release-
4
-6
commit
|
commitdiff
|
tree
2012-11-28
Ch
r
is
t
oph Ju
n
ghans
Add optio
n
to intern
a
l
ly build FFTW if selected
commit
|
commitdiff
|
tree
2012-11-22
Christoph Junghans
im
p
rove FindGROMACS
.
cmake
commit
|
commitdiff
|
tree
2012-11-20
Ch
r
istoph Jungh
a
ns
Merge "Fix
g
_msd -mol" into release-4-6
commit
|
commitdiff
|
tree
2012-11-20
C
hristoph Ju
n
ghans
Merge "Fixes bu
g
in g_h
b
ond that ma
k
e
s
it
p
roduce fa
t
al
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Chr
i
stoph Jun
g
ha
n
s
Remove
rest o
f
the xml support
commit
|
commitdiff
|
tree
2012-11-15
Ch
r
is
t
oph Junghans
Merge "Test tha
t
compil
i
ng an
d
linking of AVX works
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Christ
o
ph Junghans
Merg
e
"Option to create s
y
mlinks to g_ana
.
"
commit
|
commitdiff
|
tree
2012-11-12
Christoph Jun
g
hans
Merge "Always us
e
rel
a
tive i
n
stal
l
paths
.
"
commit
|
commitdiff
|
tree
2012-11-08
Christoph Junghans
M
e
rge
"
auto-set
nvcc host c
o
m
p
i
ler with
F
ind
M
PI detection
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Ch
r
ist
o
ph Junghan
s
M
e
rge
"
R
e
located l
o
gic of simple-vs-G
P
U
Ewald table
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Chris
t
oph Junghans
Obey DSO sta
n
d
ard
commit
|
commitdiff
|
tree
2012-11-03
Christop
h
Junghans
Reworked version of cmake FFTW det
e
ct
i
on
commit
|
commitdiff
|
tree
2012-11-01
Christoph J
u
nghans
Actually
d
isable GPU when compiling in double
commit
|
commitdiff
|
tree
2012-10-27
Christ
o
ph Junghans
M
e
rge "Fix
l
a
r
ge file support" into re
l
ease
-
4
-5-pa
t
che
s
commit
|
commitdiff
|
tree
2012-10-26
C
h
risto
p
h
Jun
g
hans
M
e
rge "enable G
M
X_PREFER_STATIC_LIBS C
M
ake o
p
tion o
n
.
.
.
commit
|
commitdiff
|
tree
2012-10-26
Ch
r
i
s
to
p
h Jun
g
hans
Me
r
ge
"fix
fa
l
s
e
pos
i
tive gcc 4
.
7 warnin
g
in libx
d
rf
.
.
.
commit
|
commitdiff
|
tree
2012-10-10
Christoph Junghans
fixe
d
hea
d
er for 3rd
p
art
y
apps
commit
|
commitdiff
|
tree
2012-10-02
Christoph Junghans
Merge "Merge
r
ele
a
se-4-6 i
n
to master"
commit
|
commitdiff
|
tree
2012-09-27
Christoph Junghans
Me
r
ge "Fixed an
off-by-
o
n
e
error in atom coun
t
ing in
.
.
.
commit
|
commitdiff
|
tree
next