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Fixed documentation text according to bugzilla 486
2010-08-03
D
a
vid van d
e
r Spoel
Fixe
d
docum
e
ntati
o
n
text according
to bugzilla 486
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoel
Merge
b
r
an
c
h 'r
e
leas
e
-4-
5
-
p
atches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
David van der Spoel
Moved
p
db
2
top
.
h
f
r
om src
/
k
ernel to include to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
David
v
an d
e
r Spoe
l
Renamed typen
a
me
to
m
y_typen
a
me i
n
index
.
c since ty
p
ename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
Davi
d
v
a
n
d
e
r Spoe
l
Fixed comp
i
lation issue corr
e
spond
i
ng to bug 468
commit
|
commitdiff
|
tree
2010-07-13
Davi
d
van der Spoe
l
Fixed bug 466 by
c
ommenting o
u
t the offendin
g
l
i
n
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David van der Spo
e
l
Merge
branch 'master' of git
.
grom
a
c
s
.
o
r
g
:
g
roma
c
s
commit
|
commitdiff
|
tree
2010-07-08
D
a
vid van der Spo
e
l
Added bonde
d
types
section t
o
r
t
p fi
l
e
s
.
It might be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
David van der Spoel
Fixed
i
nclude statements such that double
precisio
n
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Davi
d
van der Spoel
Merge branch 'master' of git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Made removi
n
g pbc no
n
-static
.
This affects many analysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Dav
i
d
v
an der Spoel
M
e
rge branch 'master' of
g
it
.
gromac
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-07-02
David
va
n
d
e
r Spoel
Fixed bug
ht
t
p://
b
ugzi
l
l
a
.
g
rom
a
cs
.
o
r
g/show_bu
g
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
D
a
v
i
d van der Spo
e
l
F
ix
e
d http://bug
z
illa
.
gro
m
acs
.
org/show_bug
.
cgi?id=
4
57
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
Merge branch 'master' of git
.
gro
m
acs
.
or
g
:gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-06-30
Dav
i
d v
a
n der Spoel
Fixed
b
ug in
b-factors
output by g_conf
r
ms
.
They we
r
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid van de
r
Spoel
Adde
d
missing argu
m
ent step t
o
trotter_upda
t
e
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
vi
d
van der Spoel
Merge branch '
m
aster' of git
.
gro
m
ac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid v
a
n der Spoel
Updated CMakeLists
.
txt in ngmx
d
irectory to excl
u
d
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
avid van der Spoel
F
ixed many iss
u
e
s
regarding to compi
l
atio
n
wit
h
C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
David
van der
S
poel
Fixed Makefile
.
am leading to
w
arn
i
ngs
.
commit
|
commitdiff
|
tree
2010-06-14
David va
n
der Spoel
Fixed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van de
r
S
poel
Merge b
r
anch 'master' of git
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-14
D
a
vid
v
a
n der Spoel
Added more
f
i
xes in com
m
ent t
e
x
ts, generously provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
a
vi
d
van der
Spoel
Fixed
a lot of s
p
e
lling errors in comments and documentation
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van d
e
r S
p
oel
Merge branch 'mast
e
r' of git
.
gromacs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-06-11
D
a
vid van der Spoel
Fixed
f
o
r
ce field files
f
or ATP
i
n order to clear b
u
g
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
van
d
er Spoel
Merge branch 'master'
o
f git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van
der Spoel
Made l
e
gend more or less work in g_ch
i
.
Don't
k
now
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Spo
e
l
Fixed SEGV
i
n g_chi as d
e
scr
i
bed
i
n
bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid van der Spoel
Added opt
i
on -nopbc to g_rmsdist in orde
r
to fix
commit
|
commitdiff
|
tree
2010-06-10
David van der
Spoel
Pedantic c
h
ange
i
n th
e
c
h
eck whether
a
file
n
ame is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r
S
poel
Renamed so
m
e pr
o
grams
t
o fo
l
low the g_ d
o
ctr
i
ne: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van de
r
S
p
oel
C
l
e
a
n
e
d
up and renamed
files
in
ngm
x
dir
e
c
t
ory
t
o b
e
tter
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Rename
d
s
ome files in a roun
d
a
b
ou
t
way
t
o
adhere
t
o
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er Spoel
Removed
a
v
erage
.
c,
t
h
a
t
function
a
lity i
s
now in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an der Spoel
Fixed strange
t
ypo in gmx_
d
ih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David
v
an
der Spoel
Moved
warning
m
essage i
n
add_a
t
om
t
ype to be
p
r
inted
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
Da
v
id van der Spoel
Made x2top
(
very) sli
g
htly functio
n
al
a
gain
.
S
t
ill
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
v
an
d
e
r
Spoel
Cha
n
ged error message for
settle problems, su
c
h
t
hat
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
v
an
der Spoel
Added e
x
p
l
ic
i
t angle i
n
ACE declaration in
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
Fixed type in gmx_mor
p
h
.
c: efTRO -> efTR
X
which lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoel
Fixed bug 39
6
.
In fact it was already fixed
p
a
r
t
ly
.
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
Merge
branch 'master' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-25
David van der Sp
o
el
Added one more!
commit
|
commitdiff
|
tree
2010-05-21
David van der S
p
o
el
F
i
xed
c
ompilation warnings and rem
o
ved spur
i
ous C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David van der Sp
o
el
M
a
de
g
_analyze com
p
il
e
agai
n
, but ot
link yet
.
commit
|
commitdiff
|
tree
2010-05-19
David
v
a
n
der Spoel
Merge branch
'
maste
r
' of git
.
groma
c
s
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-19
David van der Sp
o
el
Added chec
k
in
read_p
d
b for
e
x
istence of
t
_res
i
nfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van der Spoel
Added a coo
l
quote,
and removed two
c
o
mma's in openm
p
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Merge branch 'master' o
f
git
.
g
r
omacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-16
David
van d
e
r Sp
o
el
Fixed scattering
function c
o
de in g_rdf
.
A new
f
i
l
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David va
n
der
S
p
oel
Added o
n
e
commit
|
commitdiff
|
tree
2010-04-04
David van
der Spoel
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
David va
n
der Spo
e
l
Merge b
r
a
nch 'ma
s
ter' of
git
.
groma
c
s
.
o
rg:gromac
s
commit
|
commitdiff
|
tree
2010-03-12
David
v
an der Spoel
Merge
branch '
m
as
t
er' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Davi
d
v
a
n der Spo
e
l
Added flush
after writing to debug fil
e
commit
|
commitdiff
|
tree
2010-02-14
Dav
i
d
v
an der Spoel
Added fu
n
cti
o
n to incre
a
se
t
h
e
array
s
i
z
es in a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
Da
v
id v
a
n
d
er Sp
o
el
R
eplac
e
d some strcpy by strncpy to avoi
d
overflows
.
commit
|
commitdiff
|
tree
2010-02-06
David
v
a
n
der
S
p
o
el
Re
p
laced tw
o
strcpy by strncpy in
pdbio
.
c to prevent
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David
van der
Spoel
Changed atomnumber for
OS (opls_
1
79, o
p
ls_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
Davi
d
van
d
er Spoel
Merge branch 'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-07
David
va
n
d
er Spoel
Updated
commit
|
commitdiff
|
tree
2009-12-01
Davi
d
van d
e
r S
p
o
el
Added include
/
vmdio
.
h to t
h
e
installable hea
d
ers due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
D
avid van
d
er
S
poel
Add
e
d check
f
or c
h
dir return v
a
l
u
e
.
commit
|
commitdiff
|
tree
2009-11-10
Davi
d
v
an der
Spoel
A
d
ded
2
!!!
commit
|
commitdiff
|
tree
2009-09-18
D
avid van der Spo
e
l
Added a lo
t
o
f
help
text
commit
|
commitdiff
|
tree
2009-09-18
David
v
a
n
der Spoel
Removed
confusing --di
s
ab
l
e-nice
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van der Sp
o
el
Merge branch 'master'
of
g
it
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
David van der
S
po
e
l
Added f
u
n
ctionality
to chang
e
direc
t
ories
and
b
ack
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid
v
an der
Spoel
Fixed compilatio
n
issue
.
commit
|
commitdiff
|
tree
2009-09-15
David van der Spoel
Made
r
egul
a
r
h
istogr
a
m f
o
r g_clustize to represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d va
n
d
e
r
Spoel
Merge branc
h
'master'
of git
.
gromacs
.
o
r
g:groma
c
s
commit
|
commitdiff
|
tree
2009-09-14
David van der
Spoel
M
a
de statistics work wit
h
only 1 data po
i
n
t
commit
|
commitdiff
|
tree
2009-08-27
David va
n
der Spoel
Merge branch '
m
aster'
of
gi
t
.
groma
c
s
.
o
rg:gr
o
macs
commit
|
commitdiff
|
tree
2009-08-27
D
a
v
id van
d
er Spo
e
l
Made thread stuff
o
ptional
commit
|
commitdiff
|
tree
2009-08-27
David van der S
p
oe
l
Added mis
s
i
n
g
filename
commit
|
commitdiff
|
tree
2009-08-26
D
avid
van der Spoel
Made compi
l
able again
commit
|
commitdiff
|
tree
2009-07-19
David
va
n
der Spoel
R
e
m
oved doubles
commit
|
commitdiff
|
tree
2009-07-10
Davi
d
van d
e
r Spoel
Merge branch 'm
a
ster' of git@git
.
g
roma
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-07-10
David
v
an der
S
poel
F
ixe
d
erroneous c
h
e
c
ks for NULL pointers
.
commit
|
commitdiff
|
tree