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Fixed bug 417.
2010-08-22
David va
n
der Spoel
Fixed
bug 417
.
commit
|
commitdiff
|
tree
2010-08-19
Davi
d
van der Spo
e
l
Fixes more misery
i
n function
s
kipstr, w
h
e
r
e pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
Da
v
i
d
van d
e
r Spoel
A
d
ded
t
wo m
i
s
s
i
n
g include files
.
Fi
x
e
d
h
o
rr
i
bl
e
coding
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
David v
a
n der
Spoel
Fixed reus
e
of variable as temp vari
a
bl
e
befor
e
printing
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van d
e
r Spoel
Fixed bug
4
87 ac
c
ord
i
ng to provided
p
atch
.
commit
|
commitdiff
|
tree
2010-08-03
D
a
vid van der Spoel
Fixed
d
o
cume
n
tation text accor
d
ing to
b
ugzilla 4
8
6
commit
|
commitdiff
|
tree
2010-08-01
D
a
vid van der Spoel
Merge bra
n
c
h
'release-
4
-5-patches'
of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
Da
v
id
van der Sp
o
el
Moved pdb2top
.
h from
src/kerne
l
to inc
l
ude to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
D
a
vid van
d
e
r
Spoel
Re
n
amed typename
t
o m
y
_typename in index
.
c since typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
Da
v
id van der Sp
o
el
F
i
xed com
p
ilation is
s
ue
c
orresponding
t
o bug 46
8
commit
|
commitdiff
|
tree
2010-07-13
David van d
e
r Spo
e
l
Fixed bug 466 by comm
e
ntin
g
out
t
he offendin
g
l
i
ne
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
D
a
v
id van der Spoel
Merge br
a
nch '
m
aster' of git
.
gro
m
acs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2010-07-08
Davi
d
van der Spoel
Added
b
ondedt
y
pe
s
sect
i
on to r
t
p files
.
I
t
might
b
e
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
Da
v
id van der Spoel
Fixe
d
i
n
clude statements such that d
o
uble precision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van der
S
poel
M
erge branch 'master' of g
i
t
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-07-02
David
van
d
er S
p
oel
Mad
e
rem
o
ving p
b
c non-stat
i
c
.
T
h
is affects many analysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David v
a
n der
Spoel
Merge
b
ranch
'mast
e
r' of
git
.
gro
m
acs
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2010-07-02
David van de
r
Spoel
Fixed bug
h
t
tp:/
/
bugzilla
.
gromacs
.
org/
s
how_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
D
a
v
id v
a
n der S
p
oel
Fixed h
t
tp://bugzilla
.
gromacs
.
org/
s
how
_
b
ug
.
cgi
?
id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David
van der Spoel
Merge
branch 'master' of git
.
groma
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-30
David van der S
p
oel
F
i
x
ed bug
in b-factors out
p
ut by g_confrm
s
.
Th
e
y were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der
Spoe
l
Added
missing argument step to
t
rotter_update
.
H
o
w
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der S
p
oel
Merge
b
ranch 'ma
s
t
e
r' of git
.
gro
m
a
cs
.
org:g
r
omac
s
commit
|
commitdiff
|
tree
2010-06-27
D
avid van der Spoel
Updated CM
a
keLis
t
s
.
txt i
n
n
g
m
x dir
e
ctory to
e
x
clude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
Fixe
d
many is
s
ues rega
r
di
n
g to compila
t
ion with C
+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
D
a
vi
d
van der Spo
e
l
F
ixe
d
Makefile
.
a
m
leading t
o
warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David van der Spoel
Fixed make_ed
i
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van
de
r
S
p
oel
Merge branch 'mas
t
er' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-14
David
van der Spoel
A
d
ded more fixes i
n
comment texts, generously
prov
i
ded
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
avid v
a
n
der Spoel
Fix
e
d a
l
ot of
s
pelling errors in comm
e
n
t
s and d
o
cument
a
tion
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
D
a
vi
d
van der
Spoel
Merge branc
h
'master' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-11
Da
v
id van der Spoel
F
ixed fo
r
ce fiel
d
files f
o
r AT
P
i
n order to
cle
a
r bug
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n der Spoel
Merge bran
c
h 'ma
s
ter' of
git
.
gr
o
ma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n
der
S
po
e
l
Made le
g
en
d
more or less
w
o
r
k in g_chi
.
Don't know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
a
n
der Spoel
Fixed SEGV in g_
c
hi as desc
r
ibed in bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Sp
o
el
Added opt
i
o
n
-nopbc to g
_
rmsdist in order to
fix
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r
Spoel
Pedantic chan
g
e in the check whether a f
i
le
n
am
e
is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
avi
d
van der Sp
o
el
R
e
named some pr
o
g
rams to follow the g_ do
c
trine: lu
c
k
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
a
n
der Spoel
Cleaned up and
r
enamed
f
iles in ngmx
dire
c
tory to better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
Renamed some files in
a roundabout way to ad
h
ere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
van de
r
S
poel
Removed av
e
r
age
.
c, that
f
unc
t
ionality is no
w
in g_ana
l
yze
.
commit
|
commitdiff
|
tree
2010-06-10
David
va
n
d
e
r Spoel
Fixed
s
t
r
ange typo in
gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David
v
an der
Sp
o
el
Moved warning message
in
a
d
d
_atomty
p
e
t
o b
e
printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David van der Spoel
Ma
d
e x2top (ve
r
y) slightly func
t
ional
a
gain
.
Still
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
i
d
van
d
er
S
poel
Chang
e
d
e
rror message for settle prob
l
ems, s
u
ch that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
i
d van
der Spoel
Added explicit angle in
ACE declaration in g
r
omacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Da
v
i
d
van
der Spoel
F
ixed type in gmx_morph
.
c: efT
R
O -> ef
T
RX which le
a
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van de
r
S
poel
Fixed bug 396
.
In fac
t
it was
alrea
d
y f
i
xed partly
.
commit
|
commitdiff
|
tree
2010-05-25
David van der Sp
o
el
Merge branch 'master
'
of
git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-25
Da
v
id van de
r
S
poel
Ad
d
ed one more!
commit
|
commitdiff
|
tree
2010-05-21
Da
v
id van der
Spoel
Fixe
d
compilat
i
on warning
s
and remo
v
ed spurious C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
Davi
d
van de
r
Sp
o
e
l
Made g_analyze comp
i
l
e
again, but ot
l
ink yet
.
commit
|
commitdiff
|
tree
2010-05-19
David
v
an d
e
r Spoel
Merge bra
n
ch 'master' of git
.
g
romacs
.
o
r
g:g
r
o
m
a
c
s
commit
|
commitdiff
|
tree
2010-05-19
David van
d
e
r Spoe
l
Added
check in read_p
d
b
f
o
r existence of t_
r
esin
f
o
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van der Spoel
Added
a
cool quot
e
, a
n
d re
m
oved tw
o
comma's in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David
van de
r
Spoel
M
e
rge
b
ranch 'm
a
ste
r
' of git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David va
n
d
e
r Spoel
Fixed scatter
i
ng function code in g
_
rdf
.
A new fi
l
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
Dav
i
d
va
n
der Spoel
Ad
d
ed one
commit
|
commitdiff
|
tree
2010-04-04
D
avid van der Spoel
Added one
.
commit
|
commitdiff
|
tree
2010-04-04
D
a
vid van der S
p
oel
Merge branch 'master' of git
.
g
r
omacs
.
org:g
r
omac
s
commit
|
commitdiff
|
tree
2010-03-12
David van
d
e
r Sp
o
el
Merge branch 'ma
s
ter' of gi
t
.
gromacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-03-12
D
a
vid v
a
n
der
Spoel
Adde
d
flush after writing to
debug file
commit
|
commitdiff
|
tree
2010-02-14
David van der
S
poel
Added fun
c
tion to
increase the array si
z
es
i
n
a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
Davi
d
van der Spoel
R
e
p
l
aced some strcpy by st
r
n
c
p
y
t
o avoid overflows
.
commit
|
commitdiff
|
tree
2010-02-06
Dav
i
d van
der Spoel
Replaced two
strcpy by strncpy in pdbio
.
c to
p
rev
e
nt
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van der Spo
e
l
Changed
atomnumber for
O
S (opls_179, opls_180) to
8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
Merge bran
c
h
'master'
o
f git
.
grom
a
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-12-07
David van
d
er Spo
e
l
Update
d
commit
|
commitdiff
|
tree
2009-12-01
Dav
i
d van der Spo
e
l
Added include/vmdio
.
h
t
o the
installable head
e
rs due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van
d
er S
p
oel
Added
c
heck for
c
hd
i
r return valu
e
.
commit
|
commitdiff
|
tree
2009-11-10
David van der Sp
o
e
l
Added
2
!!!
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van de
r
Sp
o
el
Added a
l
o
t
o
f
he
l
p text
commit
|
commitdiff
|
tree
2009-09-18
David van der Sp
o
e
l
R
e
m
oved co
n
fusing -
-
d
i
sable-nice
commit
|
commitdiff
|
tree
2009-09-18
David van
d
e
r
Spoel
M
er
g
e br
a
nc
h
'ma
s
ter' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d van der
Spoel
Added f
u
nctionality to ch
a
n
ge directories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid
v
a
n
d
e
r Spoel
Fixed
c
ompilation
i
ssue
.
commit
|
commitdiff
|
tree
2009-09-15
David
van der Spoel
M
a
d
e regular
h
istogr
a
m for g
_
clu
s
tize to
r
epresent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David va
n
der S
p
oel
Merge br
a
nch 'master' of g
i
t
.
g
r
omacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2009-09-14
Davi
d
van de
r
Spoe
l
M
ade s
t
atistics
w
o
rk with only 1 data p
o
i
nt
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
Merge branch 'mast
e
r
'
of
git
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
Made thre
a
d stuff
o
ptiona
l
commit
|
commitdiff
|
tree
2009-08-27
David
v
a
n der Spoel
Added missi
n
g f
i
lename
commit
|
commitdiff
|
tree
2009-08-26
David va
n
d
e
r Spoel
Made
c
ompilable again
commit
|
commitdiff
|
tree
2009-07-19
Davi
d
v
an der Sp
o
el
Removed d
o
ub
l
es
commit
|
commitdiff
|
tree
2009-07-10
Davi
d
van der Spoel
Mer
g
e b
r
anch 'master' of gi
t
@
g
it
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-07-10
Davi
d
v
a
n
d
er Spo
e
l
Fixed erron
e
ous checks
for
NULL point
e
rs
.
commit
|
commitdiff
|
tree