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Merge branch 'master' of git.gromacs.org:gromacs
2010-02-01
David van der Spoel
Merge
branch 'master' of
g
it
.
g
r
omacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-01-31
D
a
v
id van de
r
Spoel
M
erg
e
b
ranch 'mas
t
er' o
f
gi
t
@
g
i
t
.
gr
o
macs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-01-31
David van
der S
p
oel
A
dded fil
e
typ
e
.
cub
f
or
G
aussian cube
files
.
commit
|
commitdiff
|
tree
2010-01-28
David
v
a
n der Spoel
Merge branch
'master' of git@git
.
gromacs
.
o
r
g:gr
o
macs
commit
|
commitdiff
|
tree
2010-01-28
D
a
vid van der S
p
oel
Ad
d
ed -nconstr option
to
g
_e
n
ergy
in
o
rder to get
c
orrect
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
David van de
r
Spoel
R
ena
m
ed
f
uncti
o
n
in cal
l
to low_gmx
l
ibfn
commit
|
commitdiff
|
tree
2010-01-28
David van der Spoel
Added 1
.
commit
|
commitdiff
|
tree
2010-01-27
D
a
vid van der
S
poel
Now
I'
v
e added all the Makefile
.
am
fo
r
the force fie
l
ds
.
commit
|
commitdiff
|
tree
2010-01-27
David v
a
n d
e
r Sp
o
el
Fixed Makefile
.
a
m
in share/top
.
Will add the Ma
k
efile
.
.
.
commit
|
commitdiff
|
tree
2010-01-26
David van
d
e
r
Spoel
Merge
b
ranch 'mast
e
r
'
of git
.
g
r
omacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-01-26
David van
d
e
r
Spoel
clari
f
i
e
d
c
omment about w
a
ter opti
m
ization
commit
|
commitdiff
|
tree
2010-01-23
Dav
i
d van der
S
poel
Added a quote
.
commit
|
commitdiff
|
tree
2010-01-22
David v
a
n der Spoel
M
e
rge br
a
nch 'master' o
f
git@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-22
David van der Spoel
Added missin
g
i
n
itiat
i
on statements in
a
tom
p
rop following
.
.
.
commit
|
commitdiff
|
tree
2010-01-22
David van d
e
r Spoel
Merge br
a
n
c
h 'mas
t
er' of git@git
.
gro
m
acs
.
o
rg:gro
m
acs
commit
|
commitdiff
|
tree
2010-01-22
Davi
d
van d
e
r Spoel
Fixed atomprop such th
a
t it
(
again) only reads the
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
Da
v
id van der Spoel
Fixed comm
e
nt for g_energy -h as we
l
l
.
commit
|
commitdiff
|
tree
2010-01-21
David van de
r
Spoel
Fixed err
o
neous implementation of calcu
l
ation of Cp
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van
der Spoel
Made programs less verbose about a
t
om
p
rops and abou
t
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
Davi
d
van
d
er Spo
e
l
Fixed h
e
lp
o
utput in
g
_en
e
r
gy such that the f
l
uctuation
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
avid van der Spoe
l
Merg
e
b
r
a
n
c
h
'master' of gi
t
@g
i
t
.
gro
m
acs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-01-21
D
avid van der Spoel
Added
p
roper
f
luctua
t
i
on out
p
ut to g
_
energy
.
Now
we
.
.
.
commit
|
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|
tree
2010-01-21
David v
a
n der S
p
oel
Merge branch 'master' of git@git
.
gro
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-19
Dav
i
d van der Spoel
M
e
rge branch 'master' o
f
g
i
t@git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-11
David van d
e
r Spoel
Deleted old file
commit
|
commitdiff
|
tree
2009-12-22
D
avid van der Spoe
l
Merge
branc
h
'
m
a
ster' of git
.
gromac
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-12-22
Da
v
id
v
an de
r
Spo
e
l
A
dded 1
commit
|
commitdiff
|
tree
2009-12-21
David van
de
r
Spoel
Merge branch
'master
'
of git@git
.
g
romacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-12-14
David van d
e
r
Spoel
Merge branch
'master'
o
f
git
@
git
.
g
romacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-14
David v
a
n
der
Sp
o
el
Chan
g
ed atomnum
b
e
r
for OS (opls_1
7
9, opls_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David v
a
n der Spoel
Merge branch
'
ma
s
ter' of git
.
gromacs
.
org:gr
o
m
ac
s
commit
|
commitdiff
|
tree
2009-12-07
D
a
v
id van
d
er Spoel
Update
d
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Mer
g
e branch 'master' of git@
g
it
.
gromac
s
.
org:g
r
omac
s
commit
|
commitdiff
|
tree
2009-12-01
Da
v
i
d
van
d
er Spoe
l
A
d
ded include/vm
d
io
.
h to the inst
a
llable
h
eaders due
.
.
.
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
M
erge branc
h
'ma
s
ter' of git@git
.
gro
m
acs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-11-30
Da
v
i
d van der
Spoel
Merge
b
ra
n
ch 'master' of git@g
i
t
.
gr
o
macs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2009-11-15
D
a
v
i
d van der Spo
e
l
Merge b
r
a
n
ch
'
m
aster' of gi
t
@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-11-15
David van der Spoel
Added c
h
eck for chdir retu
r
n value
.
commit
|
commitdiff
|
tree
2009-11-10
David
van der S
p
oel
Merge bra
n
ch 'master' o
f
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-10
Da
v
id v
a
n der
Spoel
Added
2
!!!
commit
|
commitdiff
|
tree
2009-10-25
David
v
a
n der Spoel
Me
r
ge
branch 'ma
s
te
r
' o
f
git@git
.
gromacs
.
org:g
r
om
a
cs
commit
|
commitdiff
|
tree
2009-10-16
David
v
an der
S
poe
l
Mer
g
e bra
n
ch 'mast
e
r' o
f
g
i
t@
g
it
.
g
r
o
m
acs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid v
a
n der Spoel
Ad
d
ed a lo
t
o
f
he
l
p
t
ext
commit
|
commitdiff
|
tree
2009-09-18
David va
n
der Spoel
Removed co
n
fusi
n
g --d
i
sable-nice
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d
van der Spo
e
l
Merge branch 'master'
o
f
g
it
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
Da
v
i
d van der Spoel
Added
functionalit
y
to
change
directories and
b
ack
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David van der
S
poel
Fixed
compilation issue
.
commit
|
commitdiff
|
tree
2009-09-17
David van der Sp
o
el
M
e
rge branch '
m
aster' of g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-15
D
a
v
i
d
van d
e
r Spoel
Mad
e
regu
l
ar histogram for g
_
c
l
ustize to represe
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David van der Spoe
l
M
erge branch
'
master' of gi
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d van der Spoel
Mer
g
e branch
'
master
'
of
g
it
.
gro
m
acs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-09-14
D
a
vid van der Sp
o
el
Made statistics work with on
l
y 1 data point
commit
|
commitdiff
|
tree
2009-09-02
D
a
vid van der Spoel
M
erg
e
bra
n
ch
'
master'
o
f git@git
.
gr
o
m
a
cs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-09-02
D
a
v
i
d van der Spoel
Merge bra
n
ch 'master' of git
@
git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-08-31
D
avid
v
an der Spoel
M
e
rge
b
r
an
c
h 'master'
o
f g
i
t
@git
.
gro
m
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id van der Spoel
M
e
r
ge
b
ran
c
h 'm
a
st
e
r
' o
f
git
.
gromacs
.
org:gro
m
ac
s
commit
|
commitdiff
|
tree
2009-08-27
D
a
vid v
a
n
der Spoel
Made thread stuff optio
n
al
commit
|
commitdiff
|
tree
2009-08-27
David va
n
der Spoel
Merge branch 'master
'
of g
i
t@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-08-27
D
a
vi
d
van der Spoel
Ad
d
ed fatal
error
commit
|
commitdiff
|
tree
2009-08-27
David van de
r
Spo
e
l
Made output spacie
r
commit
|
commitdiff
|
tree
2009-08-27
David va
n
der Spoel
Adde
d
missing filename
commit
|
commitdiff
|
tree
2009-08-26
David van der
Spoel
Made co
m
pilable again
commit
|
commitdiff
|
tree
2009-08-11
D
av
i
d van d
e
r Spoel
Merge branch
'master'
o
f
g
i
t@git
.
g
romacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-08-11
D
a
vid
van der
Sp
o
el
Fixed a couple of things related to new
r
esidue number
i
n
g
.
commit
|
commitdiff
|
tree
2009-08-04
Dav
i
d va
n
der Spoel
F
ixed i j bbug
.
commit
|
commitdiff
|
tree
2009-08-04
David van
d
er Spoel
Added ext
r
a output
commit
|
commitdiff
|
tree
2009-08-04
Dav
i
d van der Sp
o
el
Merge branch 'master
'
o
f
g
it@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-04
David
v
a
n der Spoel
Fixe
d
b
u
gs
commit
|
commitdiff
|
tree
2009-07-31
Dav
i
d
v
an der
S
poel
Added co
m
m
ents
a
nd cita
t
i
on
commit
|
commitdiff
|
tree
2009-07-31
Davi
d
va
n
der Spoel
Re-added
e
hole: no
w
in working shape
commit
|
commitdiff
|
tree
2009-07-19
D
a
v
i
d van
der
S
poel
Removed doubles
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Merge branch 'mas
t
e
r
'
of git@git
.
gromacs
.
org:g
r
oma
c
s
commit
|
commitdiff
|
tree
2009-07-10
D
a
vid van der
S
poel
F
i
x
e
d erroneous checks for
N
U
L
L
p
ointers
.
commit
|
commitdiff
|
tree
2009-07-01
David van der Spoe
l
Set bView
t
o FALSE
by default
commit
|
commitdiff
|
tree
2009-06-26
D
a
vid van d
e
r S
p
oel
Merge branch 'master' of g
i
t@gi
t
.
g
r
omacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-06-26
Dav
i
d van der Spo
e
l
Fix
e
d missing genbo
r
n
.
h
commit
|
commitdiff
|
tree