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Fixed include statements such that double precision version of genborn.c
2010-07-03
Dav
i
d
va
n
der Spoel
Fixed include statements
s
u
ch
that double precision
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Davi
d
van der Spoel
Merge branch 'mas
t
er' of git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-07-02
Dav
i
d v
a
n der
S
poel
Made
r
emoving pbc non-
s
tatic
.
This affec
t
s m
a
ny
a
n
a
l
ysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
David van der Spoel
Merge bran
c
h 'master'
of git
.
g
r
o
m
a
cs
.
o
rg
:
g
romacs
commit
|
commitdiff
|
tree
2010-07-02
David van de
r
Spoel
Fixed bug http://bugzi
l
la
.
gro
m
acs
.
org/show_b
u
g
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David v
a
n der Spoel
Fixed
h
ttp://bugzilla
.
g
r
o
m
ac
s
.
o
rg
/
s
ho
w
_bu
g
.
cgi?id=457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van der Spoe
l
Merge
b
r
anch 'master' of gi
t
.
gro
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-30
David van d
e
r Sp
o
el
Fixed bug in
b-
f
act
o
rs output
by g_confrms
.
They w
e
re
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David
van
d
er
S
po
e
l
Added
m
iss
i
ng argu
m
ent step to
trotter_update
.
Ho
w
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
M
e
rge br
a
nch 'master' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-06-27
David va
n
der Spoe
l
Updated CMakeLists
.
txt in ngmx dir
e
ctory to exc
l
ude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
a
vid va
n
der
S
poel
Fixed many issues
r
eg
a
rding
to
c
omp
i
lat
i
on wi
t
h C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
Davi
d
van der Spoel
F
i
xed Makefi
l
e
.
am l
e
ading to war
n
ing
s
.
commit
|
commitdiff
|
tree
2010-06-14
D
avid
v
a
n der Spo
e
l
F
i
xed mak
e
_
e
di
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van der Spoel
M
e
rge branch 'master' o
f
g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-14
David
v
an
d
er Sp
o
el
Added more fi
x
es i
n
commen
t
te
x
ts, generously p
r
ovi
d
e
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
a
v
i
d
v
an d
e
r
S
poel
F
i
xed a lot of
spelling
e
rrors in comments and documentat
i
on
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
D
a
v
id va
n
der Spo
e
l
Merge bran
c
h 'master'
o
f git
.
gro
m
acs
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2010-06-11
David van der Spoel
Fixed for
c
e fiel
d
files for ATP i
n
order to cle
a
r b
u
g
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Mer
g
e
b
ranch
'master
'
of git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David van der
Spoel
Made legend
m
o
r
e
or less work in g_chi
.
Don't k
n
ow
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Sp
o
e
l
Fix
e
d SEGV in g_chi as described in
b
ug 430
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid
van der
S
p
o
el
Adde
d
o
p
tion -nopbc to g_rmsdist in order to fix
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid v
a
n der Spoel
Pedantic ch
a
nge in th
e
ch
e
ck whether
a
filename is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
v
an d
e
r
Spoel
Rename
d
s
o
me
programs t
o
follow the g_ doctrine: lu
c
k
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Cleaned up an
d
renamed
f
ile
s
i
n
ngmx direc
t
ory to
better
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d van der Spoel
Renamed some files in a roundabou
t
way
t
o a
d
here to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
v
id v
a
n der Spoel
Removed av
e
r
age
.
c
,
that functionalit
y
is now in
g
_a
n
al
y
ze
.
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoe
l
F
i
xed s
t
range typo
in gmx_
d
ih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David van d
e
r Spoel
Moved
w
arning me
s
sage in add_atomt
y
pe to be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David
v
an
der Spo
e
l
Made x2top (v
e
r
y
) slightly fu
n
ctional again
.
Sti
l
l
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David v
a
n d
e
r S
p
o
el
Changed
e
r
ror message
f
or s
e
ttl
e
p
roblems, such that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
avid van der Spoel
Ad
d
ed exp
l
icit angle in ACE
d
eclaration in gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
va
n
der Spoel
Fixed type in gmx_mo
r
ph
.
c
: e
f
TRO -> efTR
X
which lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Spoe
l
F
i
xed bu
g
396
.
I
n
f
a
c
t
i
t w
a
s
alre
a
dy fixed
p
ar
t
l
y
.
commit
|
commitdiff
|
tree
2010-05-25
David van der Spoel
M
e
rge
branc
h
'master' of git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-05-25
D
avid van der Spo
e
l
Added one m
o
re!
commit
|
commitdiff
|
tree
2010-05-21
D
avid van
d
e
r Spoel
Fixed
c
om
p
ilation wa
r
ning
s
and re
m
oved
s
pu
r
io
u
s C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David v
a
n der Spoel
Made g_analyze comp
i
l
e
agai
n
, but ot l
i
n
k
yet
.
commit
|
commitdiff
|
tree
2010-05-19
David van der Spoel
Merge
branch 'master' of git
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-05-19
David van
der Spoel
Added check in read_pdb
f
or e
x
istence of t_re
s
info
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van
der Sp
o
el
A
d
d
e
d
a cool quote,
a
nd removed tw
o
co
m
ma's
i
n openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
David
van der Spo
e
l
Merge
branch 'mas
t
er'
of gi
t
.
gromacs
.
o
r
g:gromac
s
commit
|
commitdiff
|
tree
2010-05-16
Da
v
id van d
e
r Spoel
Fixed scatter
i
ng
f
unction code i
n
g_rdf
.
A
n
ew
f
i
l
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
David va
n
der Spoel
Added o
n
e
commit
|
commitdiff
|
tree
2010-04-04
D
a
vid va
n
der Spoel
A
d
ded one
.
commit
|
commitdiff
|
tree
2010-04-04
Davi
d
v
a
n der S
p
oel
Merge bra
n
ch 'master' of gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
D
a
vid van d
e
r Spoel
M
e
rge branch 'master' of
g
it
.
grom
a
c
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-03-12
David van der Spo
e
l
Added flush
after wr
i
ting to debug file
commit
|
commitdiff
|
tree
2010-02-14
David van der Spoel
Ad
d
ed function t
o
increas
e
the
a
rray si
z
es in
a t_atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David van der S
p
oel
Replaced
some strcpy by
s
tr
n
cpy to
avo
i
d overf
l
ow
s
.
commit
|
commitdiff
|
tree
2010-02-06
D
a
vid van
d
e
r
S
p
oel
R
ep
l
aced
two strcpy by strn
c
p
y
in pdbio
.
c
t
o prev
e
nt
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
David van
d
er Spo
e
l
Change
d
atomnu
m
ber for OS (opls_179, op
l
s_180)
to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
D
avid va
n
d
e
r
Spoel
Me
r
ge
b
ran
c
h 'master
'
o
f
g
it
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-12-07
David van
der
S
poel
Upd
a
t
e
d
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
A
dded include/vmdio
.
h to the installable he
a
ders du
e
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David
v
an d
e
r Spoel
Added
check for ch
d
ir return
v
alue
.
commit
|
commitdiff
|
tree
2009-11-10
David
v
an der Spoel
Added 2
!
!!
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
v
an der Spo
e
l
A
d
ded a lot of help text
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id v
a
n der Spoel
Removed c
o
n
f
u
s
ing -
-
disable-n
i
ce
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d
van der
Spoel
M
e
rge
b
r
anch 'master' of git
.
gromacs
.
org:
g
r
o
macs
commit
|
commitdiff
|
tree
2009-09-18
D
avid van der Spoe
l
Add
e
d
f
u
nc
t
ionali
t
y to chan
g
e di
r
e
c
tori
e
s an
d
b
ack
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van d
e
r Spoel
Fixed compilation
issu
e
.
commit
|
commitdiff
|
tree
2009-09-15
David van der
S
poel
Made re
g
ular
h
istogram
f
or g_cl
u
stiz
e
to repre
s
ent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoel
Merg
e
br
a
nch 'maste
r
' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
David van der
Spoel
M
ade statistic
s
work with only 1 data point
commit
|
commitdiff
|
tree
2009-08-27
David van der
S
p
o
el
M
e
r
ge b
r
a
n
ch 'master'
o
f git
.
g
ro
m
a
cs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-08-27
David
van der
Sp
o
el
Ma
d
e thread
s
t
u
ff opti
o
nal
commit
|
commitdiff
|
tree
2009-08-27
David van d
e
r Spo
e
l
Ad
d
ed mis
s
ing fi
l
ena
m
e
commit
|
commitdiff
|
tree
2009-08-26
David van d
e
r
Spoel
Made compilable again
commit
|
commitdiff
|
tree
2009-07-19
David van der
S
poel
Removed doubles
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Merge branch 'master' of git@
g
it
.
g
romacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Fixed erroneou
s
checks for NULL pointer
s
.
commit
|
commitdiff
|
tree