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Fixed atomprop such that it (again) only reads the file that you really need.
2010-01-22
D
a
v
id van der Spoel
Fixed atomprop such that it (again) on
l
y reads th
e
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van der Spoel
Fixe
d
comment
f
or g_energy -h
a
s
well
.
commit
|
commitdiff
|
tree
2010-01-21
Da
v
id van d
e
r Spoel
Fixed erroneous impl
e
mentat
i
on of calculat
i
on of Cp
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
a
v
i
d van
d
er Spoel
Made progra
m
s less
verbose
a
bout
a
tom
p
rops and about
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David van de
r
S
p
oe
l
Fixed help output i
n
g_e
n
e
rgy
s
uch that the fluctuation
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
D
a
vid van der Spoe
l
Me
r
ge branch
'
master' of gi
t
@
git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-21
D
a
vid van der
S
p
oel
Added proper fluctuation output
t
o g_en
e
r
g
y
.
N
o
w we
.
.
.
commit
|
commitdiff
|
tree
2010-01-21
David
v
an der S
p
oel
Merge b
r
a
nch 'master' of git@gi
t
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-01-19
David van der
S
p
oel
Merge branch 'master' o
f
git@git
.
grom
a
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-01-11
David va
n
der Spoel
Deleted
old file
commit
|
commitdiff
|
tree
2009-12-22
David van
d
er Spoel
Merge br
a
nch
'
master' of
git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-12-22
David v
a
n de
r
Spoel
Added
1
commit
|
commitdiff
|
tree
2009-12-21
D
avid
van
der
S
poel
Merge
b
ranch 'mast
e
r' of
g
it@git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-12-14
David van der S
p
oel
Merge
b
r
a
n
c
h 'master' of git@git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-12-14
David van der Spoel
Changed atomnumber for
OS (opls_
1
79, opls_180)
t
o 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van der Spo
e
l
Merge b
r
anch
'
m
aster' of git
.
gromacs
.
or
g
:groma
c
s
commit
|
commitdiff
|
tree
2009-12-07
D
a
vid
van
d
e
r
S
poel
Update
d
commit
|
commitdiff
|
tree
2009-12-01
David van der
S
poe
l
Merg
e
branch 'master' of git
@
gi
t
.
gromacs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2009-12-01
Da
v
id van der Spoel
Ad
d
ed
i
n
c
lude/
v
m
d
io
.
h to the instal
l
able headers due
.
.
.
commit
|
commitdiff
|
tree
2009-12-01
David v
a
n der Spoe
l
Mer
g
e branc
h
'ma
s
ter' of gi
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-30
David van der Spoel
Merge bran
c
h 'master' of
g
i
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-11-15
David van
d
e
r Spo
e
l
Merge
b
ranch 'master' of git@git
.
gromac
s
.
org
:
g
r
omacs
commit
|
commitdiff
|
tree
2009-11-15
David van der Spoe
l
A
d
ded check
f
o
r
c
h
dir return value
.
commit
|
commitdiff
|
tree
2009-11-10
David van der
Spoel
Merge br
a
nch 'm
a
ste
r
' of g
i
t@
g
it
.
gromacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2009-11-10
David
v
an der Spoe
l
Added
2
!
!!
commit
|
commitdiff
|
tree
2009-10-25
David van
d
e
r
Spoel
M
er
g
e branch 'master' of
git
@
git
.
gromacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2009-10-16
D
avid van der S
p
oel
Merg
e
branch '
m
aste
r
' of git
@
git
.
gromacs
.
o
r
g
:groma
c
s
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id van der
S
poel
Ad
d
ed a lot of help
t
e
x
t
commit
|
commitdiff
|
tree
2009-09-18
D
avid
v
a
n der Spoel
Rem
o
ve
d
conf
u
s
ing --disabl
e
-nice
commit
|
commitdiff
|
tree
2009-09-18
D
a
vi
d
van der S
p
oel
M
e
rg
e
b
ranch 'ma
s
ter' of git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van
d
e
r Spoel
Add
e
d funct
i
onality to change d
i
rectories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
David
van der Spoel
Fixed
compilation issu
e
.
commit
|
commitdiff
|
tree
2009-09-17
D
a
vid van der
Spoel
Merge branch 'mast
e
r' of git@git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-09-15
D
av
i
d v
a
n der Spoel
Made regular histogra
m
for g_clu
s
t
ize to represent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
Davi
d
van der
S
poe
l
Merge branch 'master' of git@git
.
groma
c
s
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d
van der
Spo
e
l
Merge
bran
c
h 'master' of git
.
gromacs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-09-14
Dav
i
d
v
an d
e
r Spo
e
l
Made
s
tati
s
tics
work wit
h
only 1 data poin
t
commit
|
commitdiff
|
tree
2009-09-02
D
avid
van der S
p
oel
M
erge b
r
anch 'master'
o
f git@git
.
gro
m
acs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2009-09-02
D
a
v
i
d van der Spoel
Merge b
r
anch 'mast
e
r' of git@g
i
t
.
gromacs
.
or
g
:
g
romacs
commit
|
commitdiff
|
tree
2009-08-31
David van der
S
po
e
l
M
erge branch 'master' of g
i
t@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-08-27
David van
d
er Spoel
Merg
e
bra
n
c
h
'master' of gi
t
.
g
romacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id van der Spoel
M
ade thread stuff opt
i
onal
commit
|
commitdiff
|
tree
2009-08-27
D
a
vid van
der Spo
e
l
Merge branc
h
'maste
r
' of git@git
.
gromacs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2009-08-27
Dav
i
d
v
an der Spoel
Added fa
t
al er
r
o
r
commit
|
commitdiff
|
tree
2009-08-27
D
a
vid van der Spoel
Made out
p
ut spacier
commit
|
commitdiff
|
tree
2009-08-27
David
van d
e
r
Spoel
Added missing filen
a
me
commit
|
commitdiff
|
tree
2009-08-26
David van
der Spoel
Made com
p
ilable again
commit
|
commitdiff
|
tree
2009-08-11
David van d
e
r Spoel
Merge
b
r
anch 'master' of git@g
i
t
.
g
r
o
m
acs
.
org:gro
m
ac
s
commit
|
commitdiff
|
tree
2009-08-11
David
va
n
der Spo
e
l
Fixed a cou
p
le o
f
t
hings r
e
late
d
t
o
new residue num
b
ering
.
commit
|
commitdiff
|
tree
2009-08-04
D
avid
van der Spoel
Fixed
i j
b
bug
.
commit
|
commitdiff
|
tree
2009-08-04
David van der Sp
o
el
Added extr
a
output
commit
|
commitdiff
|
tree
2009-08-04
David va
n
der Spoel
Merge br
a
nch 'master' of git
@
git
.
gromacs
.
or
g
:g
r
omacs
commit
|
commitdiff
|
tree
2009-08-04
D
a
vid
v
an der S
p
oel
Fixed bug
s
commit
|
commitdiff
|
tree
2009-07-31
Davi
d
van d
e
r Spoel
Added comments
a
nd
citatio
n
commit
|
commitdiff
|
tree
2009-07-31
D
a
vid van der Spoel
Re-added ehole: now in
w
orkin
g
s
hape
commit
|
commitdiff
|
tree
2009-07-19
Da
v
id van der Spoel
Removed
d
o
ub
l
e
s
commit
|
commitdiff
|
tree
2009-07-10
D
a
v
id van
der Sp
o
el
Merge bran
c
h
'
mast
e
r
'
of git@git
.
groma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-10
David van der
Spoel
F
i
xed erroneous checks for
NULL pointers
.
commit
|
commitdiff
|
tree
2009-07-01
D
avid
van der Spoel
Set bView to FALSE by default
commit
|
commitdiff
|
tree
2009-06-26
David van der Spo
e
l
Merge branch 'master
'
of
git
@
git
.
gromacs
.
org:
g
rom
a
c
s
commit
|
commitdiff
|
tree
2009-06-26
David van der
S
p
o
el
Fixed miss
i
ng g
e
nbo
r
n
.
h
commit
|
commitdiff
|
tree
