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Merge branch 'master' of git.gromacs.org:gromacs
2010-06-10
D
avid
van
d
er Spoel
Merge b
r
an
c
h '
m
aster' of git
.
gro
m
a
c
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-10
David van de
r
S
po
e
l
Made lege
n
d more or less wor
k
in g_c
h
i
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David va
n
der Spoel
Fixed
SEGV in
g
_c
h
i as desc
r
ib
e
d in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Adde
d
opti
o
n -nop
b
c to g_rmsdis
t
i
n
o
rder to fix
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
P
edantic change in the
c
heck wheth
e
r a filename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid van
der Spoel
Renamed some programs t
o
follow the g_ doct
r
ine: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van d
e
r Spoel
Cleaned
u
p and renamed fi
l
es in ngmx d
i
rect
o
ry to be
t
ter
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n d
e
r Spoel
Renamed some files in a round
a
bout w
a
y to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
R
e
moved
a
v
e
r
age
.
c, that functio
n
al
i
ty is now in
g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n der Sp
o
e
l
Fixed
stran
g
e
t
ypo
i
n
gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David va
n
de
r
S
poel
Mo
v
ed warning mess
a
g
e in add_at
o
mtype to b
e
printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
Da
v
id van der Spoel
Made
x2top (
v
ery) s
l
ightly functiona
l
a
g
ain
.
S
till
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van der Spoel
Changed error message
fo
r
se
t
t
l
e pr
o
blems, such that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
id van
der Spoel
A
d
ded explicit angle
in ACE decl
a
r
a
t
i
o
n in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
van d
e
r Spoel
Fixed type in g
m
x_mo
r
ph
.
c: efT
R
O -
>
ef
T
RX
w
hich
lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der
S
poel
Fixed
b
ug 396
.
In fact
it was
already fixed
p
art
l
y
.
commit
|
commitdiff
|
tree
2010-05-25
David van der Spo
e
l
Merge branch '
m
aster' of git
.
g
r
omac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-25
D
a
vi
d
van der
S
p
oel
Added one
more!
commit
|
commitdiff
|
tree
2010-05-21
David van der Spoel
Fixed compilat
i
on
war
n
i
n
gs and remov
e
d spu
r
io
u
s C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
D
a
vid
v
an der Spoel
M
a
d
e
g_analyze compile a
g
a
i
n
, but ot link
y
e
t
.
commit
|
commitdiff
|
tree
2010-05-19
David van
d
er
S
po
e
l
Merge
b
r
a
nch 'master' of git
.
g
r
omacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-19
David van
der Spoel
Added check in re
a
d_pdb for
e
xis
t
ence
of
t
_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van der S
p
o
el
Added
a
cool quot
e
, and remo
v
ed two
c
omma's in open
m
p
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Merge branch 'master'
o
f
git
.
groma
c
s
.
o
rg:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-16
David va
n
der
Spoel
Fixed scattering function cod
e
in g_rdf
.
A new file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
Da
v
id
v
a
n der Sp
o
el
Added one
commit
|
commitdiff
|
tree
2010-04-04
Da
v
id v
a
n der
Spoel
A
d
ded one
.
commit
|
commitdiff
|
tree
2010-04-04
Dav
i
d van der
S
poel
Merge b
r
anch 'mas
t
e
r
' of git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-12
D
a
vid van der Spoel
Merge br
a
nc
h
'master' of git
.
gromacs
.
o
rg
:
gromacs
commit
|
commitdiff
|
tree
2010-03-12
D
av
i
d van d
e
r
Spoel
Add
e
d fl
u
sh after writ
i
n
g to debug file
commit
|
commitdiff
|
tree
2010-02-14
David van der
Spoel
Adde
d
functio
n
t
o
increase
the array sizes in a
t
_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David van d
e
r Sp
o
el
Replac
e
d some s
t
r
cpy b
y
strncpy to avoid overfl
o
ws
.
commit
|
commitdiff
|
tree
2010-02-06
David van
d
e
r Spoel
Replaced two strcp
y
b
y st
r
ncpy in pdbio
.
c to pr
e
v
e
nt
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Da
v
id van d
e
r Spo
e
l
Ch
a
n
g
ed atom
n
umber fo
r
OS
(
opls
_
17
9
, opl
s
_
1
80) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
Merge branch 'master' of git
.
grom
a
cs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
U
pdate
d
commit
|
commitdiff
|
tree
2009-12-01
David van der Spo
e
l
A
dded include
/
vmdio
.
h to
t
he
i
n
stall
a
b
l
e headers
due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David
van de
r
Spoel
Added check for chdir return value
.
commit
|
commitdiff
|
tree
2009-11-10
Dav
i
d van der Spo
e
l
Added 2!!!
commit
|
commitdiff
|
tree
2009-09-18
D
avid v
a
n der Spoel
A
d
ded a lot of hel
p
t
e
xt
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid
van der Spoel
Removed confu
s
i
ng --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
David
va
n
der S
p
oel
Merge branch 'ma
s
t
er' o
f
git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
A
dded fu
n
c
tionality to change dir
e
c
tori
e
s and
b
ack
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David van
d
e
r
Spoel
F
i
x
e
d com
p
ilation i
s
sue
.
commit
|
commitdiff
|
tree
2009-09-15
David van
der Spoel
Ma
d
e
r
e
g
ula
r
h
i
s
togram for g_clu
s
tize t
o
represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van
der Spoel
Merge bra
n
c
h
'm
a
ster' of git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-09-14
D
avid
van
d
er Spoel
M
ade
s
tatistics work wit
h
only 1 data
p
oint
commit
|
commitdiff
|
tree
2009-08-27
David
v
an
d
er Spoel
Merge bra
n
ch 'ma
s
ter
'
of gi
t
.
g
r
o
macs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David
v
an d
e
r Spoel
Made thread stuff optional
commit
|
commitdiff
|
tree
2009-08-27
David van
d
e
r
Spoel
Added m
i
ssing filen
a
me
commit
|
commitdiff
|
tree
2009-08-26
David van
der
S
p
oe
l
Made compilabl
e
again
commit
|
commitdiff
|
tree
2009-07-19
David van der Spoel
R
e
mov
e
d doubles
commit
|
commitdiff
|
tree
2009-07-10
David va
n
der Spoel
Merge branch 'master'
of g
i
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Fixe
d
er
r
oneous checks
for NULL pointers
.
commit
|
commitdiff
|
tree