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Merge branch 'release-4-5-patches'
2010-12-09
D
avid
va
n
der
Spoel
Me
r
ge bra
n
c
h 'release-
4
-5-pa
t
ches'
commit
|
commitdiff
|
tree
2010-12-09
Dav
i
d van der Spoel
Added fa
t
al e
r
ro
r
for whe
n
pe
o
ple use energy files
.
.
.
commit
|
commitdiff
|
tree
2010-11-28
Dav
i
d van der Spoel
Mer
g
e bran
c
h
'release-4-
5
-patches'
commit
|
commitdiff
|
tree
2010-11-28
David van der Spoel
Fixed bu
g
zilla 616 about formatti
n
g in the help
t
ext
.
commit
|
commitdiff
|
tree
2010-11-26
David van
der Spo
e
l
Fixed S
E
GV bug
in
g
_sham
.
commit
|
commitdiff
|
tree
2010-11-18
David van der Spoe
l
Made
print
i
ng i
n
check_mult
i
_
i
n
i
t cond
i
t
iona
l
, depe
n
di
n
g
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
David van der S
p
oel
Fixe
d
c
o
m
pilation i
s
sue
.
commit
|
commitdiff
|
tree
2010-11-05
David va
n
d
e
r Spoel
F
ixe
d
c
o
mpi
l
a
tion i
s
sue
.
commit
|
commitdiff
|
tree
2010-11-05
David van
d
er Spoel
Added flag to gmx_
s
tats_get_point
commit
|
commitdiff
|
tree
2010-11-02
Dav
i
d van
d
er Spoel
Fix
e
d bug
6
08 by t
h
rowing a fatal erro
r
in grompp
.
commit
|
commitdiff
|
tree
2010-10-28
David van der Sp
o
el
Mer
g
e branch 're
l
ease-4-5
-
patch
e
s' of g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-28
D
av
i
d v
a
n der Spoel
Fix
e
d bug 60
4
as requested
.
commit
|
commitdiff
|
tree
2010-10-08
Da
v
id van
d
e
r S
p
oel
Merge bra
n
ch 'release-4-5-pat
c
hes' of git
.
g
r
omacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-07
Dav
i
d van der Spoel
F
ix
e
d compilation issues with C99 compatibility
.
commit
|
commitdiff
|
tree
2010-10-07
David van
der Spoel
Fixes and sma
l
l additions
to g_wham, due to
Jochen
.
.
.
commit
|
commitdiff
|
tree
2010-09-28
David
v
a
n
de
r
Spoel
Re-added g_kineti
c
s to src/too
l
s/Makefile
.
a
m
commit
|
commitdiff
|
tree
2010-09-25
D
a
vid van
der
S
p
o
e
l
M
e
rg
e
bra
n
ch 'r
e
lease-4-5-
p
atches'
commit
|
commitdiff
|
tree
2010-09-25
Da
v
id van
der Spoel
Adde
d
software-related q
u
ote
commit
|
commitdiff
|
tree
2010-09-24
David
v
an der
S
p
o
el
Upda
t
ed
t
o
reflect
b
ug 55
7
.
commit
|
commitdiff
|
tree
2010-09-20
David v
a
n der
S
poel
Merge bran
c
h '
r
eleas
e
-4
-
5-patches'
of git@git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
David van d
e
r Spoel
Merge bran
c
h
'master'
o
f
git@git
.
gromacs
.
org:
g
r
omacs
commit
|
commitdiff
|
tree
2010-09-20
David van der Spoel
Merge branch 'release-4-
5
-patc
h
es'
commit
|
commitdiff
|
tree
2010-09-20
David van der Spoel
F
i
xed bug http
:
//
b
ugzilla
.
gromacs
.
or
g
/
sho
w
_b
u
g
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-09-17
David
v
an der Spoel
Removed
gmx_membed from cmake file
s
a
s wel
l
.
commit
|
commitdiff
|
tree
2010-09-16
David
van der Spoel
M
erg
e
bra
n
c
h
're
l
e
a
se-4-5-patche
s
'
commit
|
commitdiff
|
tree
2010-09-16
D
avid
van der Spoel
Corrected name o
f
one of the
d
e
velo
p
ers listed in h
e
ad
e
r
.
commit
|
commitdiff
|
tree
2010-09-14
D
avid v
a
n
der Spoel
Merge branch '
r
e
lease-
4
-5
-
p
a
tche
s
'
commit
|
commitdiff
|
tree
2010-09-14
David va
n
d
e
r S
p
o
e
l
F
i
xed bug 553 by ch
e
c
k
ing whet
h
e
r an
atom n
a
m
e
is longer
.
.
.
commit
|
commitdiff
|
tree
2010-09-12
David van
d
er Spoel
Fixed d
e
mo to work with
n
ew pdb2gmx that requires two
.
.
.
commit
|
commitdiff
|
tree
2010-08-30
D
av
i
d van der Spoe
l
D
isabl
e
d c
o
mpi
l
at
i
on of g
_
m
emb
e
d for the t
i
me being
.
commit
|
commitdiff
|
tree
2010-08-30
D
avid van der Spoe
l
Mer
g
e br
a
nch '
r
elease-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-30
Da
v
i
d van der Spoel
Add
e
d one quote
.
commit
|
commitdiff
|
tree
2010-08-27
David
v
an der S
p
oel
Disabled buil
d
in
g
template
b
ecause i
t
does not compile !
commit
|
commitdiff
|
tree
2010-08-25
David
v
a
n
d
e
r Spoel
Fixed
co
m
pi
l
ation
o
f these resolved conflicts as
well
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
David
v
a
n
der
S
poel
fixed conflicts
.
commit
|
commitdiff
|
tree
2010-08-25
David van der
S
poel
Merg
e
branch
'release-4-5-p
a
tches'
commit
|
commitdiff
|
tree
2010-08-25
David van d
e
r
Spoel
M
a
de g
e
nrestr -constr to pr
o
duce constraints of
t
ype
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
David van der Spoel
Merge branch 'release-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-22
D
a
vid va
n
der Spoel
Fixed bug 4
1
7
.
commit
|
commitdiff
|
tree
2010-08-19
David van d
e
r Spoel
Fixes more mi
s
er
y
in funct
i
on
ski
p
s
t
r, wh
e
re
pointers
.
.
.
commit
|
commitdiff
|
tree
2010-08-19
David van
d
er Spoel
Added two missing
i
n
clu
d
e f
i
les
.
Fixed hor
r
ible coding
.
.
.
commit
|
commitdiff
|
tree
2010-08-16
David van der
Spoel
Added header fil
e
to physics
.
c
commit
|
commitdiff
|
tree
2010-08-16
David van der
Spoel
Added r
o
utines to p
h
ysics
.
c f
o
r converting a strin
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-16
David van der
S
poel
Added a
file physics
.
c with rou
t
i
n
es that convert values
.
.
.
commit
|
commitdiff
|
tree
2010-08-11
David
van der Spoe
l
Ad
d
ed co
n
s
t
in header
for the split functi
o
n as w
e
ll
.
commit
|
commitdiff
|
tree
2010-08-11
Davi
d
v
an der Spoe
l
M
a
de str argument to
f
unction
s
pl
i
t t
o
be of type const
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
D
a
vid
v
an der Spoel
Me
r
ge
bran
c
h
'release-
4
-5-patche
s
'
commit
|
commitdiff
|
tree
2010-08-04
David van der Spoel
Fixed
r
euse o
f
var
i
ab
l
e
as
t
emp var
i
able be
f
ore printing
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Spoel
Me
r
ge b
r
anc
h
'releas
e
-
4
-5-patches'
commit
|
commitdiff
|
tree
2010-08-03
Davi
d
van
der S
p
oe
l
Fixed bug 4
8
7 a
c
c
o
rding to pr
o
vid
e
d patch
.
commit
|
commitdiff
|
tree
2010-08-03
David van der Spoel
Merge b
r
anch 'r
e
l
e
ase-4-5
-
pa
t
ches'
commit
|
commitdiff
|
tree
2010-08-03
David van der S
p
oel
Fixed documen
t
at
i
on
t
ext according to bugzilla 4
8
6
commit
|
commitdiff
|
tree
2010-08-01
D
a
v
i
d v
a
n der
S
poel
Merge branch 'rele
a
se-4-5
-
patches' of git
.
gr
o
ma
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
Da
v
id va
n
der Spoel
Moved
p
db2top
.
h from
s
rc/
k
e
rnel to inclu
d
e to a
l
low
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
Dav
i
d
van der Spoel
Renam
e
d t
y
pename
to my_type
n
ame
in index
.
c
s
i
nce typen
a
m
e
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
D
avid van der Spoel
Fixed compilatio
n
issue co
r
res
p
onding to bug 46
8
commit
|
commitdiff
|
tree
2010-07-14
David va
n
der
S
po
e
l
F
ixed bu
g
4
6
7 realting to pdb2gmx outp
u
t
of th
e
water
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
D
a
vid v
a
n der Spoel
A
dded citati
o
n
for scattering factor
s
.
Used in g_rdf
.
.
.
commit
|
commitdiff
|
tree
2010-07-14
D
avid van der Spoel
Added
more
atoms
t
o
the scattering
factor data file
.
commit
|
commitdiff
|
tree
2010-07-14
Davi
d
v
an
d
er Spoel
Fixed
bug 462
.
pdb2gmx should now
p
r
o
duce the correct
.
.
.
commit
|
commitdiff
|
tree
2010-07-13
David van der Spoel
Fixed bug
4
66 by
commenting out
the offend
i
ng lines
.
.
.
commit
|
commitdiff
|
tree
2010-07-12
Da
v
id van der Spoel
Mer
g
e branch 'mas
t
er' of gi
t
@git
.
grom
a
c
s
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-07-12
David van der Spoe
l
Added initiali
z
ation of
pbc s
t
ruct in genborn
.
c
.
commit
|
commitdiff
|
tree
2010-07-09
David va
n
de
r
Spoe
l
Added
in
i
tializa
t
i
o
n of pbc stru
c
ture before calc_gb_forces
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David v
a
n der Spoel
Merge bra
n
ch 'master
'
o
f
gi
t
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-07-08
David
v
an der
S
p
oel
Added
bonde
d
types secti
o
n to rtp files
.
I
t mig
h
t
be
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
Da
v
id van der S
p
oel
Removed
p
ossible SEGVs i
n
rmpbc
i
n case ePBC = No
.
commit
|
commitdiff
|
tree
2010-07-08
David v
a
n d
e
r Spoel
Merge branch 'master' of git
.
gromacs
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2010-07-07
Dav
i
d
van der
Spo
e
l
Merge branch 'maste
r
' o
f
git
.
g
rom
a
cs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-07-07
D
avid van der S
p
oel
F
i
xed miserable bug in commre
c
.
h where an int array
.
.
.
commit
|
commitdiff
|
tree
2010-07-06
David van der Spoel
F
ixed bug in gmx_s
u
mf_comm where a double array wa
s
.
.
.
commit
|
commitdiff
|
tree
2010-07-05
David van der Spoel
Merg
e
bra
n
ch 'master' of git
.
g
ro
m
a
cs
.
o
rg:groma
c
s
commit
|
commitdiff
|
tree
2010-07-05
D
a
vid van
der Spo
e
l
Me
r
ge branch 'master' of git
.
g
r
omacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-07-05
David van der Spoel
Add
e
d sf
a
cto
r
.
dat to th
e
instal
l
ation targets in shar
e
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
D
avid van der Spoel
Fixed
include
statements s
u
ch that dou
b
l
e
precisi
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David va
n
der
Spoel
Me
r
g
e
b
r
anch 'master
'
of git
.
g
romacs
.
o
rg:grom
a
c
s
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Made
r
emo
v
in
g
pbc non-static
.
This affects many analysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
D
a
vid van der
S
poel
Merge branch 'master' of git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Fixed bug http://
b
ugzilla
.
gromacs
.
org/show_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoel
Fixed h
t
t
p://b
u
gzilla
.
gromac
s
.
org/s
h
ow_bu
g
.
cg
i
?id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
Davi
d
van der
S
p
oel
Merge bra
n
ch 'master' o
f
gi
t
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-30
Davi
d
v
a
n der Spoel
Fixed bu
g
in
b-fact
o
rs outpu
t
b
y
g_confrm
s
.
They
w
ere
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David
van der Spoel
Added missing argument step to tr
o
tter_update
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David va
n
der
S
poel
Me
r
ge bran
c
h 'master' of git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-06-27
David van der
S
p
o
el
Updated
CMake
L
ists
.
t
xt in ngmx directory to exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Sp
o
e
l
Fi
x
ed many
i
ssue
s
rega
r
di
n
g to compilation with C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
D
avid van der Spo
e
l
Fixed Makefile
.
am leading to wa
r
nings
.
commit
|
commitdiff
|
tree
2010-06-14
David
v
a
n
d
e
r Spoel
Fixe
d
m
a
ke
_
edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van der S
p
oel
Merge branch 'master' of
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-14
David van
der Spoel
Added more
fixes in comment texts,
g
enerously provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
David van der Spoel
F
ixed a lot of spelling erro
r
s in
c
o
mments
a
nd document
a
tion
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van der
Spoel
Merge branch 'master
'
o
f git
.
gromacs
.
org:gr
o
ma
c
s
commit
|
commitdiff
|
tree
2010-06-11
David
v
an der
S
poel
F
ixed
force fiel
d
files for ATP in
o
rder to clear bu
g
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
M
erge branch 'master
'
of git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Made legend
m
ore or le
s
s work
i
n g
_
chi
.
Don'
t
know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
a
n
d
e
r Spoel
Fixed
SEGV in g_chi as describe
d
in bu
g
4
30
.
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
poel
A
d
d
e
d op
t
ion
-
nopbc to g_rmsdist in order to fix
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Pedantic change in
the chec
k
whether a filename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid v
a
n der Spoe
l
Renamed som
e
programs
t
o follow the g_
d
octrine: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
C
leaned
u
p and renam
e
d files
in ngmx directory
t
o b
e
tter
.
.
.
commit
|
commitdiff
|
tree
next