repo.or.cz
/
gromacs
/
adressmacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge branch 'release-4-5-patches'
2010-12-09
David
van der Spoel
Merge branch 'releas
e
-4-5-patches'
commit
|
commitdiff
|
tree
2010-12-09
Da
v
id v
a
n
d
e
r
S
poel
Added fatal error for when p
e
ople use en
e
r
g
y files
.
.
.
commit
|
commitdiff
|
tree
2010-11-26
David va
n
der Spoel
Fixe
d
SEGV bug in g_sham
.
commit
|
commitdiff
|
tree
2010-11-05
David
v
an der Sp
o
e
l
Fixed compilation issue
.
commit
|
commitdiff
|
tree
2010-11-05
Da
v
id van d
e
r Spoel
Fixed compilation
i
ssu
e
.
commit
|
commitdiff
|
tree
2010-11-05
Dav
i
d
va
n
d
er
Spoel
Added flag
to gmx_s
t
ats_get_point
commit
|
commitdiff
|
tree
2010-11-02
Davi
d
van der
S
poel
F
i
xed bug 608 by
t
h
rowing a fatal error in
gro
m
pp
.
commit
|
commitdiff
|
tree
2010-10-07
David
v
a
n der
S
poel
Fixed com
p
ilation
i
s
sues with C9
9
co
m
patibi
l
i
t
y
.
commit
|
commitdiff
|
tree
2010-10-07
David
v
an der Spoe
l
Fixes and small additions to g_w
h
am, due to Jochen
.
.
.
commit
|
commitdiff
|
tree
2010-09-25
David van der
Spo
e
l
Merge br
a
n
ch 'rele
a
s
e-4
-
5-
p
atches'
commit
|
commitdiff
|
tree
2010-09-25
David
van der Spoel
A
d
d
e
d
software-re
l
ated quote
commit
|
commitdiff
|
tree
2010-09-20
David va
n
der Spoel
Merge branch 'r
e
lease-4-5-patches'
of git@git
.
gr
o
ma
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
D
a
vid van der Spoe
l
Merge branch
'master' of
git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-09-20
D
a
vid
v
an der Spoe
l
Merge br
a
nch 'release-4
-
5-pat
c
hes'
commit
|
commitdiff
|
tree
2010-09-20
David van der Spoel
Fi
x
ed
b
ug http://bugzill
a
.
g
r
o
macs
.
o
rg/s
h
o
w_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
David
v
an d
e
r Sp
o
el
Disabled build
i
ng template because it
d
oes not comp
i
le !
commit
|
commitdiff
|
tree
2010-07-14
David van
der Spoel
Fixed bug 467
realti
n
g to
pdb2gmx output o
f
the water
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
D
a
vid van de
r
S
p
oel
Ad
d
ed cit
a
tion f
o
r scattering factors
.
Used in g_rdf
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
David van der Spoel
Added m
o
re a
t
o
m
s to
t
he sca
t
tering factor data
f
ile
.
commit
|
commitdiff
|
tree
2010-07-12
D
avid v
a
n der
S
p
o
el
Merge branch 'master' of git@git
.
gromacs
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2010-07-12
David va
n
der Spoel
Added ini
t
ialization of pbc struct in
genborn
.
c
.
commit
|
commitdiff
|
tree
2010-07-09
David
van
d
er Spoel
Added i
n
i
t
i
alization of pbc
structure before ca
l
c_gb_forces
.
.
.
commit
|
commitdiff
|
tree
2010-07-07
David van der Spo
e
l
Fixed miser
a
b
le
bug in
commrec
.
h wh
e
re
an int
a
rray
.
.
.
commit
|
commitdiff
|
tree
2010-07-06
David v
a
n
der Spoel
Fixed bug in gmx_sumf_comm where a
d
ouble a
r
ray was
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
van der Spoel
Increase
d
buffer size for reading in
a whole file at
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
Da
v
id van der Spoel
Added multi r
e
gression analysis t
o
g_a
n
alyze
.
See info
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
D
a
vid van
d
er Spoel
Fixed compilation is
s
ue in gemi
n
ate
.
c due to non-def
i
ned
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van de
r
S
p
oel
Merge b
r
a
n
ch 'master' of git@git
.
g
romacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-02
Davi
d
van der Spoel
Merge bra
n
c
h 'master' of git@git
.
g
romacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-04-12
D
a
vid
v
an der
Spoel
M
e
rge branc
h
'master' of
g
it@git
.
gromacs
.
o
rg:gromac
s
commit
|
commitdiff
|
tree
2010-04-12
David van
d
er Spoe
l
C
h
anged t
h
e
out
p
ut of topology files to
incl
u
d
e
t
h
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
D
a
vid va
n
der
Spo
e
l
Merge bran
c
h 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
David van
d
e
r Spoel
Adde
d
statement to set rtp t
o
NULL
.
commit
|
commitdiff
|
tree
2010-04-06
D
avid van der Spoel
R
e
vert
"
Added argume
n
t rtpn
a
me to t_a
t
oms_set_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-03-10
David van der Sp
o
el
Merge
bran
c
h 'mast
e
r' o
f
g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-10
D
a
vid va
n
der
Spoel
Added routine a
d
d_t_atoms to increase the length of
.
.
.
commit
|
commitdiff
|
tree
2010-02-15
D
a
vid va
n
d
e
r
Spoel
Up
d
ated
commit
|
commitdiff
|
tree
2010-02-09
Da
v
id van
der S
p
o
el
Merge branch 'master' of git@git
.
g
romacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-02-09
David va
n
der Spoel
A
dded
a
n
empt
y
line to share/html/Makefi
l
e
.
am to f
o
o
l
.
.
.
commit
|
commitdiff
|
tree
2010-02-06
David van der Spoel
Fixed ht
m
ldir st
u
ff
.
commit
|
commitdiff
|
tree
2010-02-03
David van der Spoel
Remo
v
ed FF
.
dat from share
/
top/Make
f
ile
.
am
commit
|
commitdiff
|
tree
2010-01-31
David van der Sp
o
el
M
erge branch '
m
aster' of gi
t
@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-31
Davi
d
van der Spoel
A
dded fil
e
type
.
c
u
b fo
r
Ga
u
s
s
ia
n
c
u
be
files
.
commit
|
commitdiff
|
tree
2010-01-28
David
v
an der Spoe
l
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-28
David
van der Spoe
l
Added -n
c
onstr option to
g_ene
r
gy in order to get cor
r
e
ct
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Da
v
id van der Spoel
Rename
d
fun
c
t
ion
i
n call to low
_
gm
x
libfn
commit
|
commitdiff
|
tree
2010-01-23
Da
v
id van der Sp
o
el
Added a
quote
.
commit
|
commitdiff
|
tree
2010-01-22
Da
v
id van der Spoel
M
erge branch '
m
aster
'
of git
@
g
i
t
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-01-22
D
a
vid van der Spoel
Added
m
is
s
ing initiation statements in
a
t
o
mprop following
.
.
.
commit
|
commitdiff
|
tree
2010-01-22
Da
v
i
d
v
an der Sp
o
el
M
e
rge b
r
an
c
h
'
m
a
ster' of git@git
.
grom
a
cs
.
o
r
g:gr
o
m
a
cs
commit
|
commitdiff
|
tree
2010-01-22
David
van
d
e
r
Spoel
Fixed ato
m
pr
o
p
such
t
hat i
t
(again) only rea
d
s th
e
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der Spoel
F
ixed com
m
en
t
f
or g_ene
r
gy -
h
as well
.
commit
|
commitdiff
|
tree
2010-01-21
David van der S
p
o
e
l
Fixe
d
erroneou
s
implementation o
f
calculation
of
C
p
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David v
a
n der S
p
oel
Ma
d
e programs less verbose about atom
p
r
o
ps an
d
abo
u
t
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der
S
poel
Fi
x
ed help o
u
tput in
g
_en
e
rgy such that the fluctua
t
io
n
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der Spoel
Merge bran
c
h 'ma
s
t
er' of
git@git
.
gromacs
.
org:g
r
o
macs
commit
|
commitdiff
|
tree
2010-01-21
David van d
e
r
S
poel
A
dd
e
d proper f
l
uctuation o
u
t
p
ut to g_energy
.
Now we
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David
van
de
r
Spoel
Mer
g
e branch
'
mast
e
r
'
of git@git
.
gr
o
macs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-01-19
Davi
d
v
a
n de
r
Spoel
Merge branc
h
'm
a
ste
r
' of git@
g
i
t
.
gr
o
macs
.
o
rg
:
gromacs
commit
|
commitdiff
|
tree
2009-12-21
Dav
i
d
van der
S
poel
Merge branch
'
mast
e
r' of
g
it@git
.
gromacs
.
org
:
groma
c
s
commit
|
commitdiff
|
tree
2009-12-14
David van der Spoel
Merge br
a
nch 'mast
e
r' of git@git
.
gromacs
.
o
rg:
g
romac
s
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
M
e
r
g
e branch 'm
a
ster' of g
i
t@git
.
gromacs
.
org:
g
r
o
m
a
cs
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Merg
e
br
a
nc
h
'master' of git@git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-11-30
Davi
d
van
d
e
r
Spoel
M
erge branch
'
ma
s
t
er' of g
i
t@gi
t
.
g
r
om
a
cs
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2009-11-15
David van der Spoel
Merge branch 'maste
r
'
of g
i
t
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-10
David van der Spoel
Merge
branch 'master' of git@git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-25
D
avid van der S
p
oel
Me
r
ge b
r
anch 'mas
t
er' of git@git
.
g
r
omacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-10-16
David va
n
der Spoel
Merge b
r
anch
'master' of git@git
.
gromacs
.
o
rg:gr
o
m
acs
commit
|
commitdiff
|
tree
2009-09-17
David van der S
p
o
e
l
Merge branch 'ma
s
ter' of
g
it@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d va
n
d
e
r
S
p
oel
M
e
r
g
e
branch 'master'
of git@git
.
g
romac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-02
Dav
i
d van der
S
poel
Merg
e
branch 'maste
r
' o
f
git@git
.
gromacs
.
o
r
g
:
g
romacs
commit
|
commitdiff
|
tree
2009-09-02
David v
a
n
der Spoel
Merg
e
bran
c
h 'm
a
s
ter' of
git@git
.
gro
m
acs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-08-31
Dav
i
d van d
e
r Sp
o
el
Mer
g
e branch 'm
a
ster
'
of
git@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
Davi
d
van der S
p
oel
Merge b
r
anch '
m
aster' of git@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David v
a
n
d
er Spoe
l
Added fa
t
al er
r
or
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
Made ou
t
put s
p
a
cier
commit
|
commitdiff
|
tree
2009-08-11
David van d
e
r Spo
e
l
Mer
g
e
b
r
a
nch
'mas
t
er' of git@g
i
t
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-08-11
Da
v
id v
a
n
der S
p
oel
Fixe
d
a c
o
u
p
le of thi
n
gs relate
d
t
o
n
ew residue
n
u
m
beri
n
g
.
commit
|
commitdiff
|
tree
2009-08-04
David van der Spo
e
l
F
i
x
e
d
i j bbug
.
commit
|
commitdiff
|
tree
2009-08-04
D
avid van der
Spoel
Add
e
d
extra output
commit
|
commitdiff
|
tree
2009-08-04
David van d
e
r
S
poel
Mer
g
e bra
n
ch '
m
aster' of gi
t
@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-04
David van der
S
poel
Fi
x
ed bugs
commit
|
commitdiff
|
tree
2009-07-31
Da
v
id van
d
er Spoel
Add
e
d comments and
c
ita
t
ion
commit
|
commitdiff
|
tree
2009-07-31
Dav
i
d
van der Spoel
Re-added
e
h
o
le: n
o
w
i
n working shape
commit
|
commitdiff
|
tree