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
Merge "Fix large file support" into release-4-5-patches
2012-10-27
Chr
i
s
t
oph Junghans
Merge "
F
ix large f
i
le supp
o
rt" i
n
to
re
l
eas
e
-4-5-patches
commit
|
commitdiff
|
tree
2012-10-26
Dav
i
d van der
Spoel
Merge "F
i
xed Pulp Fic
t
ion quote" into release-4-5
-
p
a
t
c
h
es
commit
|
commitdiff
|
tree
2012-09-27
Chri
s
toph
J
u
ng
h
ans
Merge "
F
ixed an
off-by-one
error in atom co
u
n
t
ing in
.
.
.
commit
|
commitdiff
|
tree
2012-09-27
Teemu
M
urtola
Merge "F
i
x
insolidangl
e
selection
s
nea
r
poles
.
"
in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-09-25
C
h
ristoph
Junghans
Mer
g
e "Fix RE
M
D u
s
e of g
m
x_l
a
rge_int
_
t
f
o
r #steps v
a
r
i
able
.
.
.
commit
|
commitdiff
|
tree
2012-09-15
Kasson
M
e
rge "F
i
x
some
m
emory leak
s
.
"
into
r
elease-4-5-pat
c
hes
commit
|
commitdiff
|
tree
2012-09-15
David
v
a
n
der S
p
oel
Merg
e
"
Ada
p
ted NMR related data
t
o new pdb format
.
.
.
.
commit
|
commitdiff
|
tree
2012-09-14
C
h
ristoph Ju
n
ghans
Merg
e
"fixed rec
e
nt bug with gr
o
mpp check
for P-R P
.
.
.
commit
|
commitdiff
|
tree
2012-09-06
Roland Schulz
Merge "Fi
x
e
d
.
g96 traje
c
t
o
r
y
reading
.
" into release
.
.
.
commit
|
commitdiff
|
tree
2012-09-03
Kasson
Merge "Document correct comm
_
mode op
t
ion" into
r
ele
a
se
.
.
.
commit
|
commitdiff
|
tree
2012-09-03
Kasson
Merge "Impr
o
ved pdb2gm
x
output" in
t
o re
l
ease
-
4-5-pa
t
ches
commit
|
commitdiff
|
tree
2012-08-20
C
h
r
i
stoph Junghan
s
Merge "F
i
x coordinat
e
i
s
zero
c
heck in gmxc
h
eck
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-08-07
Christoph Jungh
a
n
s
M
er
g
e "fi
x
e
d inc
o
rrect TPI resu
l
ts
with dynamic
bo
x
.
.
.
commit
|
commitdiff
|
tree
2012-08-06
Christoph Ju
n
gha
n
s
Merge "Added c
o
m
m
ent in get_struct
u
r
e about
which
structures
.
.
.
commit
|
commitdiff
|
tree
2012-08-04
Roland Sch
u
lz
Merge
"Fixed
segv in essenti
a
l dynamics
m
odule" int
o
.
.
.
commit
|
commitdiff
|
tree
2012-07-09
Ch
r
istoph Junghans
Merge "
F
ixed bug in sfa
c
t
o
r
.
c
that
m
akes
g
_rdf -sq
.
.
.
commit
|
commitdiff
|
tree
2012-06-19
Mark Abrah
a
m
Merge "Fixes #8
8
2 -
loopin
g
bug in
trxio
.
c
"
into release
.
.
.
commit
|
commitdiff
|
tree
2012-06-19
Ch
r
i
stoph Jung
h
ans
Mer
g
e "Quiet linker o
n
BlueG
e
n
e" into rele
a
se-4-5-patch
e
s
commit
|
commitdiff
|
tree
2012-06-18
C
h
ris
t
oph Junghans
M
e
rge
"
Fix g_lie countin
g
last
frame twice" in
t
o
r
elease
.
.
.
commit
|
commitdiff
|
tree
2012-06-16
David van
der Spoel
Fixes #
8
82 - looping
bug in trxio
.
c
commit
|
commitdiff
|
tree
2012-06-15
E
rik Mark
l
und
Makes g_h
b
ond -contact
w
ork
commit
|
commitdiff
|
tree
2012-06-15
Christoph Junghans
Merge "Work around f
a
i
l
ure of endianness testing on
.
.
.
commit
|
commitdiff
|
tree
2012-06-14
R
oland Schul
z
Me
r
ge
"Made mdrun more verbose a
b
out PME split" into
.
.
.
commit
|
commitdiff
|
tree
2012-06-11
C
arsten K
u
tzner
Sm
a
ll fix for g_tune
_
p
me
commit
|
commitdiff
|
tree
2012-06-08
Christoph J
u
nghans
M
e
r
g
e
"Added more sug
g
este
d
stra
t
e
gies to error message
.
.
.
commit
|
commitdiff
|
tree
2012-06-01
Christoph Jungha
n
s
Merge "
R
eplace our fftpack vers
i
on
with Numpy's versi
o
n
.
.
.
commit
|
commitdiff
|
tree
2012-05-29
Sander
P
r
on
k
Rem
o
ve
d
depend
e
n
c
y on w
i
ndows
.
h through commrec
.
h,
.
.
.
commit
|
commitdiff
|
tree
2012-05-28
C
h
ristoph Jung
h
ans
Merge "Co
n
t
i
nuing to fix thre
a
ding on Cygwin" into
.
.
.
commit
|
commitdiff
|
tree
2012-04-28
Mark Abraha
m
Merg
e
"
R
em
o
ve checks
b
as
e
d
on Ge
n
er
a
tor"
into release
.
.
.
commit
|
commitdiff
|
tree
2012-04-28
Mark Abraham
Mer
g
e "Fix vers
i
on info generation for auto
c
onf
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-04-26
S
z
ilárd Páll
Merge "fixed init
i
al COM motion removal wit
h
mult
i
p
l
e
.
.
.
commit
|
commitdiff
|
tree
2012-04-26
David van der Spoel
M
erge
"Va
r
ious
i
mpr
o
v
ement
s
to she
l
l code" into r
e
le
a
se
.
.
.
commit
|
commitdiff
|
tree
2012-04-24
B
erk
Hess
Merge "allo
w
-append to ove
r
rule unsupporte
d
file
l
o
c
king
.
.
.
commit
|
commitdiff
|
tree
2012-04-16
Sander P
r
o
n
k
Me
r
ge "Permit threads build on Cygwin" into re
l
ease
.
.
.
commit
|
commitdiff
|
tree
2012-04-14
Teemu Murtola
M
e
rge "
C
larifie
d
w
a
rning mes
s
age" into re
l
e
as
e
-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-04-14
T
e
e
m
u Murtola
M
er
g
e
"
C
larifie
d
warning s
t
ring" into release-4-5-patches
commit
|
commitdiff
|
tree
2012-04-09
C
h
r
i
stoph Jung
h
a
ns
Me
r
ge "D
o
cumentation and error message
e
nhancement
s
.
.
.
commit
|
commitdiff
|
tree
2012-04-09
C
hr
i
stoph Junghans
Merg
e
"
Con
s
olidate
d
docu
m
ent
a
ti
o
n
o
f
.
m
dp res
t
raint
.
.
.
commit
|
commitdiff
|
tree
2012-04-03
Roland Schulz
M
erge "Fixes
p
roble
m
s
with g
_
msd
a
nd g_energ
y
" into
.
.
.
commit
|
commitdiff
|
tree
2012-04-02
David v
a
n
der Spoel
Merge "I
m
proved pdb2
g
mx error message" into release
.
.
.
commit
|
commitdiff
|
tree
2012-03-18
Chris
t
oph
J
unghans
Merge "Warnings
a
gainst equilibrat
i
ng
with P-R
P
-
coupling
.
.
.
commit
|
commitdiff
|
tree
2012-03-18
David van der Spoel
Merge "Fix
t
y
po
in Clang
C
Flags
"
i
nt
o
r
e
lease-4-5-
p
atches
commit
|
commitdiff
|
tree
2012-03-15
Ch
r
istoph Junghans
M
erge "Clarified wordin
g
of documentation"
i
nt
o
release
.
.
.
commit
|
commitdiff
|
tree
2012-03-12
Christoph Junghans
Merge "More editori
a
l
f
i
x
es to tool documentation"
.
.
.
commit
|
commitdiff
|
tree
2012-03-12
T
e
e
m
u Murtola
M
e
rge "Made description
s
tring fo
r
g_se
l
ec
t
-se
l
ect
.
.
.
commit
|
commitdiff
|
tree
2012-03-09
David v
a
n der Spo
e
l
Merg
e
"Improved cryptic e
r
ror message" into rele
a
se
.
.
.
commit
|
commitdiff
|
tree
2012-03-09
C
a
rst
e
n Kutz
n
er
Mer
g
e "Im
p
rove
d
warning not
e
with DD and
p
er
i
o
dic molec
u
les
.
.
.
commit
|
commitdiff
|
tree
2012-03-08
David van der Spoel
Merge
"Minim
a
l supp
o
rt for Clang
"
in
t
o release-4-
5
.
.
.
commit
|
commitdiff
|
tree
2012-02-25
Da
v
id van der
S
poel
Merge "Min
o
r formatting fi
x
es to
.
mdp option documentatio
n
.
.
.
commit
|
commitdiff
|
tree
2012-02-21
T
eemu M
u
rtola
Merge "Use
Git server (mirror) to a
v
o
i
d fetchi
n
g problems
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szilárd Páll
Merge cha
n
ges If0c2f9d9,Ic2a8ad82 into release-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-10
Christoph Junghans
Merge "Fixed bug
w
ith COM motion
r
e
moval on part of
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Sz
i
lárd P
á
ll
Merge "Append all ICC Performance
f
lags
only t
o
Release
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Teem
u
Murt
o
la
Merge "Revert "Fi
x
ICC o
n
W
i
ndo
w
s B
u
ild"" int
o
rel
e
as
e
.
.
.
commit
|
commitdiff
|
tree
2012-02-01
David van
der Spoel
M
er
g
e
"
F
ixed er
r
or messa
g
e to identify the corr
e
ct
.
.
.
commit
|
commitdiff
|
tree
2012-02-01
D
avid van der Spoel
Me
r
ge "Fi
x
e
d trj
c
o
nv -
s
ub
"
into release-4-5-patches
commit
|
commitdiff
|
tree
2012-02-01
David van der Spoel
Merg
e
"Impro
v
ed
err
o
r
m
e
s
sa
g
e" into
r
ele
a
s
e
-4-5-patches
commit
|
commitdiff
|
tree
2012-02-01
Christ
o
ph Junghan
s
Merge "Fix signe
d
/unsigne
d
warnings" in
t
o
rel
e
a
se-
4
.
.
.
commit
|
commitdiff
|
tree
2012-01-31
Rolan
d
Schulz
R
evert "Fix ICC on Windows Build"
commit
|
commitdiff
|
tree
2012-01-31
D
avid van der Spoel
M
erge
"Fix ICC o
n
Windows Bu
i
l
d
" into rel
e
ase
-
4-5-
p
a
tch
e
s
commit
|
commitdiff
|
tree
2012-01-31
M
a
rk Abraham
Merge "Corre
c
ted us
e
of ?
:
in condi
t
i
o
nal" i
n
t
o
r
e
lea
s
e
.
.
.
commit
|
commitdiff
|
tree
2012-01-25
Roland Schu
l
z
Merg
e
"New
a
pproach f
o
r
Gerri
t
Build s
c
ript"
i
nto relea
s
e
.
.
.
commit
|
commitdiff
|
tree
2012-01-20
David van d
e
r Spoel
Merge "Fixed timing measureme
n
ts
.
" into release
-
4-5
.
.
.
commit
|
commitdiff
|
tree
2012-01-15
Christop
h
Ju
n
ghan
s
Merge "
A
dded CMake Toolchain
file for
B
lueGene/P" into
.
.
.
commit
|
commitdiff
|
tree
2012-01-04
Christop
h
Junghans
Merge "Documented the
f
unction of g_cluster -cl -noav
.
.
.
commit
|
commitdiff
|
tree
2011-12-27
R
ola
n
d Schul
z
Merge "Added -dh
d
l to t
p
r file l
i
st, f
i
x
es
#
8
55" into
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Roland Sch
u
lz
Merge
"
Using MinS
i
ze
R
el
c
onf
i
guration and Release target
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Roland Schulz
M
e
rge changes Ia
f
4
c
56
b
7,Ibabed87f into release-4
-
5
.
.
.
commit
|
commitdiff
|
tree
2011-12-14
R
o
land Schulz
Merge "Re-f
i
xed s
t
atic linking of maths
libraries
u
nder
.
.
.
commit
|
commitdiff
|
tree
2011-12-13
Roland S
c
hulz
Merge "Relaxed
some assu
m
ptions ab
o
ut tra
j
ectory times
.
.
.
commit
|
commitdiff
|
tree
2011-12-11
Ro
l
and Schul
z
Merge "Set
-
D
M
PI only if compile
d
for FAH" into release
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
Roland Schulz
Merge "Fix selection
p
a
rsing
in
d
ouble precision
.
"
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
R
o
land Schu
l
z
Mer
g
e "Avoid p
o
ssi
b
l
e warnings if HU
G
E
_VAL != i
n
finity
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
R
olan
d
Schulz
Me
r
g
e "I
n
i
t
i
alize variables to mak
e
GC
C
4
.
6 not complain
.
.
.
commit
|
commitdiff
|
tree
2011-11-24
Roland Sch
u
lz
Merge "Fixed g_an
g
l
e
-f -o
r
to c
o
py ti
m
es from -f
to
.
.
.
commit
|
commitdiff
|
tree
2011-11-08
Chris
t
op
h
Junghans
M
e
rge "Fixed bug #830 (segv in do_dssp)"
i
nto release
.
.
.
commit
|
commitdiff
|
tree
2011-11-08
Kasson
Mer
g
e "
F
ix fo
r
G
B, double, SSE2 and
o
p
t
imize
d
ke
r
nels
.
.
.
commit
|
commitdiff
|
tree
2011-10-20
C
h
ristoph Jung
h
ans
Merge "Fixes for GB k
e
rnel" into r
e
lease-4-5-patch
e
s
commit
|
commitdiff
|
tree
2011-10-19
T
eemu
Murtola
Merge "
f
ixed
p
ull
const
r
aining doin
g
nothin
g
, fix
e
s
.
.
.
commit
|
commitdiff
|
tree
2011-09-27
Ross
e
n
A
post
o
lov
Merge
"
Remov
e
d CM
a
k
e
warning f
o
r recent OpenMPI
v
ersi
o
n
s
.
.
.
commit
|
commitdiff
|
tree
2011-09-19
Rosse
n
Apostolov
Merge
"
Res
o
lved gerrit iss
u
e
https://ge
r
r
i
t
.
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2011-09-16
R
ossen Apos
t
olov
Merge "g_wham: fixed pul
l
x
.
xvg readi
n
g
i
ssue wit
h
pull_
g
eom
e
.
.
.
commit
|
commitdiff
|
tree
2011-09-16
Erik
L
indahl
Mer
g
e "made
a
llocation f
o
r
LINCS with particle decomposition
.
.
.
commit
|
commitdiff
|
tree
2011-09-15
Berk
Hess
Merge "Introduced dif
f
e
rent o
p
ti
o
ns for pdb2gmx termi
n
i
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
R
ossen Apost
o
lov
Me
r
ge "Added warning line
.
" into relea
s
e-4
-
5-
p
atches
commit
|
commitdiff
|
tree
2011-09-13
Be
r
k Hess
Merge "Fix pdb2
g
mx -de
b
ug a
n
d
.
hdb files" into relea
s
e
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Berk Hess
Merge "
F
i
xed c
h
arge groups
of CHARMM27 DNA
/
RNA ter
m
inal
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Berk Hess
M
e
rge "Added
A
CE
a
nd CT3
t
o
CHARMM27 aminoacid
s
.
rtp
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Roland Schulz
Merge "fixed grompp
i
ssue with dec
o
upli
n
g
and vi
r
tual
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Rossen Apo
s
tolo
v
Merge "Fixes for
C
Make finding
FORTRAN library names
.
.
.
commit
|
commitdiff
|
tree
2011-09-13
Be
r
k
H
ess
M
e
rge "Remo
v
e segv in xp
m
2ps, f
i
xes #611" into release
.
.
.
commit
|
commitdiff
|
tree
2011-09-05
Micha
e
l S
h
irts
Merge
"
fixed incorrect pV term in the energy fil
e
"
.
.
.
commit
|
commitdiff
|
tree
2011-08-23
Rolan
d
Schulz
Merge "Fixe
d
g_disre dere
f
erencing cr"
i
nto rele
a
se
.
.
.
commit
|
commitdiff
|
tree
2011-08-23
Roland
Schulz
Merge "Typo fix" into release-4-5-pa
t
c
hes
commit
|
commitdiff
|
tree
2011-08-23
Rol
a
n
d Sch
u
lz
Merge "f
i
xed o
p
eration on closed file structur
e
in
.
.
.
commit
|
commitdiff
|
tree
2011-08-23
Ro
l
and Schu
l
z
M
erg
e
"fixed possible infini
t
e
loop w
h
e
n readin
g
atom
.
.
.
commit
|
commitdiff
|
tree
2011-08-11
Roland Schulz
Merge "removed npme
n
odes mismatch warn
i
ng i
n
read_ch
e
c
kpoint
.
.
.
commit
|
commitdiff
|
tree
2011-08-11
Ber
k
Hess
Me
r
ge "Make su
r
e that ftell
work
s
co
r
re
c
t
l
y for files
.
.
.
commit
|
commitdiff
|
tree