repo.or.cz
/
gromacs
/
rigid-bodies.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fixed bug in b-factors output by g_confrms. They were exactly 100 times too small.
2010-06-30
David
v
an der Spoe
l
Fixed bug in
b-
f
actors ou
t
put b
y
g_confrms
.
They were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
Davi
d
van der
S
po
e
l
A
d
ded
m
i
ssing argumen
t
step to t
r
ott
e
r
_update
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
D
avid van der Spo
e
l
Merge branch '
m
aster' of git
.
gromacs
.
org:gro
m
a
c
s
commit
|
commitdiff
|
tree
2010-06-27
David va
n
d
e
r
Spoel
Updated CMakeL
i
s
ts
.
txt in
n
gmx directory to exclude
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David v
a
n
der Sp
o
el
Fixe
d
many issues r
e
g
arding to c
o
mpilat
i
on with C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
Dav
i
d
va
n
der
Spoel
Fixed Ma
k
ef
i
le
.
am leading to warni
n
g
s
.
commit
|
commitdiff
|
tree
2010-06-14
Da
v
id van d
e
r Spoe
l
F
i
xed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
D
a
vid van der Spoel
Merge
branch
'm
a
ster' of
gi
t
.
g
r
omacs
.
org:g
r
o
m
acs
commit
|
commitdiff
|
tree
2010-06-14
D
av
i
d van der Spoel
Added more f
i
xes in commen
t
texts, generous
l
y provid
e
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
D
avid van
d
er
S
p
oe
l
F
i
xed a lot of sp
e
lling err
o
rs in comments a
n
d do
c
ument
a
tion
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David van de
r
Spoel
Merge branch 'master' of git
.
gr
o
ma
c
s
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-06-11
David van der Spoel
Fixed force fi
e
ld fi
l
es
for ATP in order
to
c
lear bug
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Merge bran
c
h 'master' of git
.
gro
m
a
cs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David van der
S
poel
Made legen
d
m
o
r
e or l
e
ss work
in g_chi
.
Don't kn
o
w
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n der Spoel
Fixed S
E
GV
in
g_chi as describe
d
in bug 43
0
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
i
d
van der Spoel
A
dded
o
ptio
n
-nopbc to g
_
r
m
sdist in order
to fix
commit
|
commitdiff
|
tree
2010-06-10
David van
d
er
Spoel
Pedantic change i
n
the check whether a filename
i
s
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id van
d
er Spoel
Renamed so
m
e programs t
o
follow the g_
doc
t
rine: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Da
v
id va
n
der
Spoel
C
leaned up and renamed files i
n
ngmx direct
o
ry to b
e
tter
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
Davi
d
v
an der Spoel
R
en
a
med so
m
e
fi
l
es in a ro
u
ndabout w
a
y t
o
adhere t
o
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
D
a
vid van der Spoel
Removed
a
ve
r
a
g
e
.
c, that
f
u
n
ctionality is
n
ow
in g_anal
y
ze
.
commit
|
commitdiff
|
tree
2010-06-10
David v
a
n
d
er Spoel
Fixed str
a
nge typo in gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
Da
v
id van der Spoel
Mov
e
d w
a
rning me
s
sag
e
i
n
a
d
d_atomtyp
e
to be
p
rinted
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David va
n
d
er Spoel
Made x2top (very)
s
l
i
ghtly
f
unctional again
.
S
till
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der
S
p
o
el
Ch
a
n
ge
d
e
r
ror
m
essage for
settle probl
e
m
s, su
c
h that
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Davi
d
v
an der Spoel
Adde
d
explicit
angle
i
n ACE decl
a
ra
t
i
o
n
in g
r
omacs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d van
d
e
r
Spoel
Fixe
d
type in gmx_morp
h
.
c: efTRO -> efTRX
w
hich le
a
d
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
D
a
v
id van de
r
Spoel
Fixed b
u
g
3
9
6
.
I
n
fa
c
t it
was already fixed partly
.
commit
|
commitdiff
|
tree
2010-05-25
David van de
r
S
p
oel
Merge bra
n
ch
'
m
aster' of git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-25
David v
a
n der Spoel
Added
o
ne more!
commit
|
commitdiff
|
tree
2010-05-21
David van der
Sp
o
e
l
Fi
x
ed compila
t
ion warn
i
ngs and removed spu
r
ious C+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David
v
an der Spoel
Made g_analyz
e
compile a
g
ain, but ot link yet
.
commit
|
commitdiff
|
tree
2010-05-19
D
avid
van der Sp
o
el
Merge branch
'master' of git
.
gr
o
macs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-19
David va
n
der Spoel
Added check in rea
d
_
p
db
fo
r
existence of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
D
a
vid van
d
er Spo
e
l
Added a cool quote, and removed two comma's in o
p
enmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
D
avid van der S
p
oel
Merge branch 'master' of git
.
gr
o
macs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David van der S
p
oel
Fix
e
d scatte
r
ing f
u
n
c
tion code in g_rdf
.
A new fil
e
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
Da
v
id van
d
er Spoel
A
dded one
commit
|
commitdiff
|
tree
2010-04-04
David van der Spoel
Added
o
n
e
.
commit
|
commitdiff
|
tree
2010-04-04
David
van de
r
Spoel
M
erg
e
branch
'
master' o
f
git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
David van der
S
poel
M
er
g
e branch 'mast
e
r' of
g
it
.
gromacs
.
o
r
g
:g
r
o
macs
commit
|
commitdiff
|
tree
2010-03-12
David van der Spoel
Added flus
h
af
t
er w
r
iting to debug f
i
le
commit
|
commitdiff
|
tree
2010-02-14
Davi
d
van
der
Spoel
Added fun
c
t
ion to increase the array sizes in a t_ato
m
s
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David van der S
p
oe
l
Replace
d
some strcpy by str
n
cpy to avo
i
d overflow
s
.
commit
|
commitdiff
|
tree
2010-02-06
David v
a
n der S
p
oel
Rep
l
a
c
e
d
two strcpy
by
s
trncpy in p
d
bio
.
c to prev
e
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Da
v
id v
a
n
der Spoel
C
h
a
nged atomnumbe
r
f
o
r OS (op
l
s_179, op
l
s_180) to 8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David
v
an der Spoel
Merge branch
'm
a
ste
r
' of git
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
U
pdated
commit
|
commitdiff
|
tree
2009-12-01
David v
a
n d
e
r
Spoel
Added i
n
clud
e
/vmdi
o
.
h
to
t
he i
n
s
t
allable he
a
ders
due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
David van der Spoel
Added
c
heck
f
or
chdir
re
t
u
r
n value
.
commit
|
commitdiff
|
tree
2009-11-10
Da
v
id
v
an der Sp
o
e
l
Added 2
!
!!
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
van d
e
r Spoel
Added a
l
o
t o
f
help
t
ext
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid van der Spoel
R
emoved co
n
fusing --disable-nice
commit
|
commitdiff
|
tree
2009-09-18
David van
der Spoel
Me
r
ge bra
n
ch 'master' of git
.
g
r
omacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-09-18
Da
v
id v
a
n der
Sp
o
el
Ad
d
ed funct
i
o
n
a
lity t
o
ch
a
nge directories
and b
a
ck
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Davi
d
v
a
n der
S
poel
Fixed comp
i
lation issue
.
commit
|
commitdiff
|
tree
2009-09-15
Da
v
id van der Spoel
Made regular
histo
g
ram f
o
r g_c
l
u
s
tize to
r
epres
e
nt
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
D
a
v
id van der Spoel
Merg
e
branc
h
'
m
as
t
er' of
git
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-09-14
David van der Sp
o
e
l
Ma
d
e statisti
c
s work wit
h
only 1 da
t
a poi
n
t
commit
|
commitdiff
|
tree
2009-08-27
David van der Spoel
M
e
rge branch 'mas
t
er
'
of git
.
gromacs
.
or
g
:gr
o
mac
s
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id van der
Spoel
M
ade t
h
read stu
f
f
opt
i
onal
commit
|
commitdiff
|
tree
2009-08-27
Da
v
id
v
an der Sp
o
el
Add
e
d
missing filename
commit
|
commitdiff
|
tree
2009-08-26
D
avid van der Spoel
Made compi
l
abl
e
ag
a
in
commit
|
commitdiff
|
tree
2009-07-19
David v
a
n der S
p
o
el
Removed dou
b
les
commit
|
commitdiff
|
tree
2009-07-10
David
van der Spoel
Merge branch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-07-10
David van der Spoel
Fixed erroneous check
s
f
o
r NULL pointer
s
.
commit
|
commitdiff
|
tree
