repo.or.cz
/
gromacs
/
rigid-bodies.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge branch 'master' of git.gromacs.org:gromacs
2010-06-10
D
avid van der S
p
o
el
Merge bra
n
ch 'master' of git
.
groma
c
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n der Spoel
Made leg
e
nd m
o
re or less work in g_chi
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n
d
e
r
Sp
o
el
Fixed S
E
GV in g_chi as des
c
ribed in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Adde
d
opt
i
on
-nopbc to g_rmsdist in or
d
er to fix
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
v
a
n d
e
r
S
poel
Pedantic
change in the check
whether a filename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der Spoel
Renamed so
m
e programs to follo
w
the g_
d
o
ctrine:
luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der S
p
oel
Cleaned up
a
nd r
e
named files i
n
ngmx
d
ir
e
c
t
o
ry to better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Spoel
Renamed some files i
n
a roundabout wa
y
to adher
e
to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Removed average
.
c, that fu
n
ctionality is now
in g_analyz
e
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
Fixed st
r
ange typo in
gm
x
_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David va
n
der Spoel
Moved wa
r
ning messag
e
i
n add_atomtype to be print
e
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David va
n
der Spo
e
l
Ma
d
e
x
2top (very) slightl
y
func
t
ional again
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David v
a
n der Spoel
Chang
e
d error message for
settle prob
l
ems, such th
a
t
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Sp
o
el
Added expl
i
cit
a
n
gle in AC
E
declaration
in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
id van der Sp
o
el
Fix
e
d typ
e
in gmx_mo
r
ph
.
c:
e
f
T
RO ->
e
fTRX which
l
ead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David va
n
der Spoel
Fi
x
ed bug
3
9
6
.
In fact it was alr
e
ady fixed part
l
y
.
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
Me
r
ge branch
'
master
'
of g
i
t
.
gr
o
m
a
cs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-05-25
David
v
an der Spoel
Add
e
d o
n
e more!
commit
|
commitdiff
|
tree
2010-05-21
Da
v
id van d
e
r Spoel
Fixe
d
comp
i
lation
warnings an
d
rem
o
ved spurious
C
+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David van de
r
Spoel
Made g
_
an
a
lyze compile again, but ot
link yet
.
commit
|
commitdiff
|
tree
2010-05-19
David van der
Spoel
Merge bran
c
h
'
master' of git
.
grom
a
cs
.
org:
g
ro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
David
van
d
er S
p
oel
Added che
c
k
in
read_pdb for
e
xiste
n
ce of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
Da
v
id v
a
n der Spoel
A
d
ded a cool
q
uote
,
and re
m
oved
two c
o
mma's in
o
penmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van
der Spoe
l
Me
r
ge branch 'master' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David van
d
er S
p
oel
F
i
xed sca
t
te
r
ing
f
unction code in g_rdf
.
A n
e
w fil
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David van der Spoel
Ad
d
ed one
commit
|
commitdiff
|
tree
2010-04-04
David van der Spo
e
l
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
David van der Spoel
Merge bran
c
h
'm
a
s
t
er'
o
f
g
i
t
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-12
David
van der Spoe
l
Me
r
g
e
branch 'mast
e
r
' of git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Davi
d
van der Spoe
l
Added fl
u
sh after
w
r
iting to
d
ebug
f
ile
commit
|
commitdiff
|
tree
2010-02-14
David van der Spoel
Added f
u
nction to incre
a
se
t
he array si
z
es in a t_ato
m
s
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David van der Spoel
Replaced
s
ome strcpy by strncpy to avoid overflows
.
commit
|
commitdiff
|
tree
2010-02-06
Dav
i
d van der
S
poel
Replaced two strcpy by strncpy in
p
dbio
.
c to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
D
avid v
a
n
d
er Spoel
Change
d
atomnumb
e
r fo
r
OS (opls_1
7
9, opls_18
0
) to
8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
D
a
vid
van der
S
poe
l
Merge branc
h
'm
a
st
e
r' o
f
git
.
grom
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-07
Dav
i
d van der Spoel
U
p
date
d
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
A
d
ded incl
u
d
e
/vmdio
.
h to the
ins
t
a
llable he
a
der
s
due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van
der
Spoel
Added check for chdir return valu
e
.
commit
|
commitdiff
|
tree
2009-11-10
Dav
i
d van d
e
r
Spoel
A
d
ded 2!!
!
commit
|
commitdiff
|
tree
2009-09-18
David van der
S
po
e
l
Adde
d
a
lo
t
of help text
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Removed
confusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
David va
n
der Spoel
M
erge
b
ranch 'master' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-09-18
David van der Sp
o
e
l
Added functionality to change
d
ir
e
c
t
ories
a
nd back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id van de
r
Spoel
Fi
x
ed compilation iss
u
e
.
commit
|
commitdiff
|
tree
2009-09-15
David van der
S
poel
Made regular histogram for g_clu
s
tize to represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David
van
d
er Sp
o
el
M
erge branch 'master' of git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
David
van der Spoel
Made
statistics work with on
l
y 1 data p
o
int
commit
|
commitdiff
|
tree
2009-08-27
David van d
e
r
S
poel
Merg
e
br
a
nc
h
'ma
s
ter'
o
f
git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
Dav
i
d van
d
er Spoel
Made t
h
read
s
t
u
ff optional
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoe
l
Added
m
i
ssing filename
commit
|
commitdiff
|
tree
2009-08-26
Da
v
id van
de
r
Spoel
Made compi
l
able again
commit
|
commitdiff
|
tree
2009-07-19
D
avid v
a
n der S
p
oel
Removed doubles
commit
|
commitdiff
|
tree
2009-07-10
Dav
i
d van der Spoel
Merge branch 'master'
o
f
gi
t
@
g
it
.
grom
a
cs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-07-10
Da
v
id van der
Spoel
Fixed erroneous chec
k
s
f
o
r NULL pointers
.
commit
|
commitdiff
|
tree