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Merge branch 'master' of git.gromacs.org:gromacs
2010-06-10
David van der Spoel
Merge branch '
m
a
ster'
o
f git
.
gromacs
.
org
:
g
r
omacs
commit
|
commitdiff
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tree
2010-06-10
Dav
i
d
van der
S
poel
Made legend more
or le
s
s work in g_chi
.
D
o
n't know
.
.
.
commit
|
commitdiff
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tree
2010-06-10
David van d
e
r Spoel
Fixed
SEGV i
n
g_chi
as descr
i
bed in bug
430
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Spoel
A
dded op
t
ion -nopbc to g_rmsdist in order to
fix
commit
|
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tree
2010-06-10
David van d
e
r
Spoel
P
e
da
n
t
i
c
change in
t
he ch
e
c
k wh
e
ther a
fil
e
name i
s
.
.
.
commit
|
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tree
2010-06-10
Davi
d
van der Spoe
l
Renamed some programs to foll
o
w the g_ d
o
ctrine: luck
.
.
.
commit
|
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tree
2010-06-10
David van
der
S
poel
Cleaned up
a
n
d renamed files in ngmx d
i
rectory to better
.
.
.
commit
|
commitdiff
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tree
2010-06-10
David van
d
er
S
poel
Renamed so
m
e files in a roundab
o
ut
w
ay to adhere
t
o
.
.
.
commit
|
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|
tree
2010-06-10
Dav
i
d v
a
n der Spoel
Removed average
.
c, that functiona
l
i
ty is now in g_an
a
lyz
e
.
commit
|
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tree
2010-06-10
D
avid
v
an der Spoel
Fixed strang
e
typo i
n
gmx_d
i
h
.
c
commit
|
commitdiff
|
tree
2010-06-06
David van der Spoel
M
o
ve
d
w
a
rn
i
ng message in a
d
d_at
o
mtype t
o
b
e
printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David van der
S
poel
Made x2t
o
p
(ve
r
y
) sl
i
ghtly functiona
l
a
gain
.
Sti
l
l
.
.
.
commit
|
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|
tree
2010-06-02
David va
n
d
er S
p
oel
C
ha
n
ged
error message for
settle problems,
suc
h
that
.
.
.
commit
|
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|
tree
2010-06-02
David van der S
p
o
el
A
d
d
e
d
explicit
a
ngle i
n
A
C
E declarat
i
o
n
i
n
gromacs
.
.
.
commit
|
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|
tree
2010-06-02
Da
v
id van der Spoel
Fixed t
y
pe in gmx_
m
o
rph
.
c: efTRO -
>
efTRX which
l
ead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
avid v
a
n der
Spo
e
l
Fixed
bug 396
.
I
n
fact it was already
fixed partly
.
commit
|
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|
tree
2010-05-25
David van der Spoel
Me
r
ge
bran
c
h 'maste
r
' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-25
D
a
v
id
v
an der Spoel
Added one
more!
commit
|
commitdiff
|
tree
2010-05-21
David van de
r
Spoel
Fixe
d
com
p
i
lation wa
r
ning
s
and
r
em
o
ved spurious
C
+
.
.
.
commit
|
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|
tree
2010-05-20
David van der S
p
oel
Made g_analy
z
e co
m
pile again, but o
t
l
ink y
e
t
.
commit
|
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|
tree
2010-05-19
Dav
i
d van
d
er Spoe
l
Merge
branch 'master
'
of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
D
avid van der Spoel
Added
check in read_pdb fo
r
e
xistenc
e
of t_resinfo
.
.
.
commit
|
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|
tree
2010-05-18
D
a
vi
d
van der
Sp
o
el
Added a cool quote, and removed
tw
o
comma's in
o
pe
n
mp
.
.
.
commit
|
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|
tree
2010-05-16
D
a
vid van der Spoel
Merge
b
ranch 'maste
r
' of git
.
gromacs
.
o
r
g:gro
m
acs
commit
|
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|
tree
2010-05-16
David van der Spoe
l
Fixed scatterin
g
function
c
o
de in g_rdf
.
A new file
.
.
.
commit
|
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2010-04-30
Da
v
id van der Spoel
A
dded one
commit
|
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|
tree
2010-04-04
D
a
vid van der S
p
oel
Add
e
d one
.
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|
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2010-04-04
David van der Spoel
M
erge branch 'mas
t
er'
o
f
git
.
grom
a
cs
.
org:gr
o
m
a
cs
commit
|
commitdiff
|
tree
2010-03-12
D
avid van der Spoel
Merg
e
branc
h
'master'
of git
.
gromacs
.
org:gromacs
commit
|
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|
tree
2010-03-12
David van der Spoel
Added flush after
wr
i
ting
to debu
g
file
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|
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|
tree
2010-02-14
Dav
i
d van der Spoel
Add
e
d func
t
ion t
o
increa
s
e t
h
e
array sizes in a t_atoms
.
.
.
commit
|
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|
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2010-02-13
David van d
e
r
Spoel
Replace
d
some str
c
p
y
by strnc
p
y to
a
void ove
r
f
lows
.
commit
|
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|
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2010-02-06
Da
v
id van
d
e
r
S
poel
Replaced two st
r
cpy by st
r
n
c
py i
n
pdbio
.
c to prevent
.
.
.
commit
|
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|
tree
2009-12-14
Da
v
id va
n
d
e
r
Spo
e
l
C
h
anged a
t
omnumber for
OS
(
opls_1
7
9
,
opls_180) to
8
.
.
.
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|
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2009-12-07
Dav
i
d van der S
p
oel
Merge br
a
n
c
h 'master' of git
.
gromac
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-07
Dav
i
d van der S
p
oel
Updated
commit
|
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|
tree
2009-12-01
David van der Spo
e
l
Added include/vm
d
i
o
.
h
t
o
the installable
headers
due
.
.
.
commit
|
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|
tree
2009-11-15
David van der Spoe
l
Added check for chdir return value
.
commit
|
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|
tree
2009-11-10
David van
de
r
Spoel
Added
2
!!!
commit
|
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tree
2009-09-18
David v
a
n der Spoel
Added
a
lot of help text
commit
|
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|
tree
2009-09-18
Dav
i
d van der
Spoel
Removed c
o
n
f
using
-
-disable-
n
ic
e
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoe
l
Merge
branch 'master
'
of g
i
t
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Added functionality t
o
chang
e
dir
e
ctories and back
.
.
.
commit
|
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|
tree
2009-09-18
Da
v
id
v
an der Spo
e
l
Fi
x
ed
compi
l
ation issue
.
commit
|
commitdiff
|
tree
2009-09-15
Dav
i
d
v
an der Spo
e
l
Made regul
a
r hist
o
gram for g_c
l
ustiz
e
to represent
.
.
.
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|
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|
tree
2009-09-14
David v
a
n der Spo
e
l
M
erge bra
n
ch
'master' of
g
i
t
.
groma
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
M
a
d
e stat
i
s
t
ics wo
r
k with only 1 data poi
n
t
commit
|
commitdiff
|
tree
2009-08-27
David van
d
e
r Spoel
Merge b
r
an
c
h 'master
'
o
f
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van de
r
Spoe
l
Made thread stuff opti
o
nal
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|
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|
tree
2009-08-27
David van
de
r
Spo
e
l
Added
m
issing filename
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|
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|
tree
2009-08-26
David van der Spoel
Made compil
a
ble aga
i
n
commit
|
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|
tree
2009-07-19
David
v
an de
r
Spoel
Remo
v
ed doubles
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|
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|
tree
2009-07-10
D
avid van
der Sp
o
el
Me
r
g
e branc
h
'master' of
git@gi
t
.
gromacs
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2009-07-10
David
va
n
der Spoel
F
ixed erroneous checks fo
r
N
ULL
p
o
inte
r
s
.
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|
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|
tree