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Added header file to physics.c
2010-08-16
David
v
an
d
er Spoe
l
Added header
file to physi
c
s
.
c
commit
|
commitdiff
|
tree
2010-08-16
David van der Spoe
l
Added ro
u
tines to phy
s
i
c
s
.
c for
c
onverting
a strin
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-16
D
a
vid van der Spoel
Added
a fil
e
physic
s
.
c with r
o
utin
e
s that
convert value
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-11
D
a
vid
v
a
n
der Spoe
l
Added co
n
st in header for the split function as well
.
commit
|
commitdiff
|
tree
2010-08-11
David van der Sp
o
el
Made str argu
m
ent to funct
i
on s
p
lit to
be of type const
.
.
.
commit
|
commitdiff
|
tree
2010-08-04
D
a
v
id va
n
der S
p
oe
l
Merge branch 'release-4-5-patc
h
e
s
'
commit
|
commitdiff
|
tree
2010-08-04
David
van der S
p
oel
F
i
xed reu
s
e of va
r
iable as temp variab
l
e before
p
rinting
.
.
.
commit
|
commitdiff
|
tree
2010-08-03
David van der
Spoel
Merge br
a
n
c
h
'
r
ele
a
se
-
4-5-patches
'
commit
|
commitdiff
|
tree
2010-08-03
David van de
r
Spoe
l
Fixed
bug
4
87
a
ccordi
n
g to p
r
ovided
p
a
tch
.
commit
|
commitdiff
|
tree
2010-08-03
David v
a
n der Spoel
Merge b
r
anc
h
'release
-
4-5-patche
s
'
commit
|
commitdiff
|
tree
2010-08-03
David van
d
e
r Spoel
Fixe
d
documentation text
a
ccord
i
n
g
to bugzilla 486
commit
|
commitdiff
|
tree
2010-08-01
D
a
v
id
v
an der Spoel
Me
r
ge
bra
n
ch 'release-
4
-5-patches' of git
.
groma
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-01
Davi
d
van der
Sp
o
el
Moved pdb2top
.
h from src/kernel to includ
e
to allow
.
.
.
commit
|
commitdiff
|
tree
2010-07-31
David
v
an der Sp
o
el
Renamed typename to
my_typen
a
me in
i
ndex
.
c since typename
.
.
.
commit
|
commitdiff
|
tree
2010-07-15
David
van der
S
poel
Fixed com
p
ilati
o
n issu
e
correspo
n
ding to
bug 46
8
commit
|
commitdiff
|
tree
2010-07-13
Dav
i
d van der Spoel
F
ixed bug 46
6
b
y
commenting o
u
t the o
f
f
en
d
in
g
lines
.
.
.
commit
|
commitdiff
|
tree
2010-07-08
David
v
an der Spoel
Merge
b
ranch 'mast
e
r' of g
i
t
.
gromac
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-07-08
Da
v
id van der Spoel
Added bondedtypes secti
o
n to rtp files
.
It
might be
.
.
.
commit
|
commitdiff
|
tree
2010-07-03
David van d
e
r
Spoel
Fi
x
ed
i
ncl
u
de
statements suc
h
th
a
t double p
r
eci
s
ion
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
D
a
vi
d
van der Spoel
Merge bra
n
c
h
'
m
aster' of git
.
gromacs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-07-02
D
avid
van der
Spoel
Made removing p
b
c non-stati
c
.
This af
f
ec
t
s ma
n
y ana
l
ysis
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Dav
i
d van der Spoel
Merge branch
'master
'
o
f
git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-07-02
David
van der S
p
o
el
Fixed bug http://b
u
gzill
a
.
gromacs
.
org/s
h
o
w_bug
.
cgi
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David
van der Spoel
Fixe
d
h
ttp://bug
z
illa
.
groma
c
s
.
org/show_bug
.
c
g
i
?id
=
457
.
.
.
commit
|
commitdiff
|
tree
2010-06-30
David van
der
S
poel
M
e
rge branch 'master'
o
f git
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-30
D
avid van der Spoel
F
ixed b
u
g in b-factors ou
t
put by g_confrms
.
The
y
were
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David v
a
n der Spoel
Added
missing
argument step
t
o tro
t
ter_update
.
How
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van d
e
r Spoel
Merge branch
'master' of gi
t
.
gr
o
macs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-27
David van der Sp
o
el
Updated
C
MakeLists
.
txt in ngmx
d
irectory to
e
xclu
d
e
.
.
.
commit
|
commitdiff
|
tree
2010-06-27
David van der Spoel
Fixed
m
any issues regarding to co
m
pilation with C+
.
.
.
commit
|
commitdiff
|
tree
2010-06-18
D
a
vid v
a
n
der Spoel
F
i
xed Mak
e
file
.
am lea
d
in
g
to warnings
.
commit
|
commitdiff
|
tree
2010-06-14
David van
de
r
Spoe
l
Fixed make_edi
.
c
commit
|
commitdiff
|
tree
2010-06-14
David van de
r
S
poel
Merge branch 'ma
s
ter' o
f
git
.
gromacs
.
o
rg:gromac
s
commit
|
commitdiff
|
tree
2010-06-14
Davi
d
v
an
d
e
r Spoel
Added m
o
re
f
ixes in comment text
s
, g
e
nero
u
sly provided
.
.
.
commit
|
commitdiff
|
tree
2010-06-12
David van d
e
r
S
poel
Fixed a lot of spellin
g
e
r
ror
s
in co
m
m
ents and documentati
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-06-11
David va
n
d
e
r Spoel
Merge branch
'master'
of git
.
gromacs
.
org:groma
c
s
commit
|
commitdiff
|
tree
2010-06-11
David van d
e
r
S
p
oel
Fixed force f
i
eld f
i
les for ATP
in order to clear bug
commit
|
commitdiff
|
tree
2010-06-10
David
v
an
d
er Spoel
Merge bran
c
h 'master' of
git
.
g
romac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
David van d
e
r Spoel
Made legend
m
o
re
or less w
o
rk in g_chi
.
D
o
n
'
t
know
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
van der Spo
e
l
Fi
x
e
d
SEGV in
g_chi as de
s
cribed i
n
bug 430
.
commit
|
commitdiff
|
tree
2010-06-10
Dav
i
d
van der Spo
e
l
Added
o
ption
-nopbc
to g
_
rmsdist in
o
rder to
f
ix
commit
|
commitdiff
|
tree
2010-06-10
David van der Spoel
Peda
n
tic
chan
g
e
i
n the check whethe
r
a filena
m
e is
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
van der
S
poel
Renam
e
d
s
ome p
r
ograms to follo
w
the g_ doctrine: luck
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David
van de
r
Spoel
Cleaned up a
n
d
ren
a
med fil
e
s
i
n
n
gmx
d
i
re
c
tory to bett
e
r
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David van
d
e
r
Spo
e
l
Re
n
amed some files in
a round
a
bout way to adhere to
.
.
.
commit
|
commitdiff
|
tree
2010-06-10
David va
n
der Spoel
R
emoved a
v
erage
.
c,
that functionality is
now in g_analyze
.
commit
|
commitdiff
|
tree
2010-06-10
D
avid van
d
er S
p
oel
Fixed str
a
nge typo in
gmx_dih
.
c
commit
|
commitdiff
|
tree
2010-06-06
David
v
an
der Spoel
Moved warning mes
s
age
i
n add_
a
t
o
m
t
y
p
e to be printed
.
.
.
commit
|
commitdiff
|
tree
2010-06-03
David
v
an der S
p
oel
M
a
de
x
2top (very) sl
i
ghtly functional again
.
S
till
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
Dav
i
d
van der
S
poel
C
hanged error message fo
r
s
e
t
t
le
p
roblems
,
such
t
hat
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der S
p
o
e
l
Added explicit an
g
le
i
n ACE declaration
i
n gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David
van
der
S
p
o
el
Fixed t
y
p
e in
g
mx_m
o
rph
.
c: e
f
T
R
O ->
e
fTRX
w
h
i
ch lead
.
.
.
commit
|
commitdiff
|
tree
2010-06-02
David van der Sp
o
e
l
Fixed bug
3
96
.
I
n fact it was
alrea
d
y fixed par
t
ly
.
commit
|
commitdiff
|
tree
2010-05-25
David van der
S
po
e
l
Mer
g
e branch 'master' of g
i
t
.
grom
a
c
s
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-25
D
a
v
i
d van der
Spoel
A
d
ded one
m
ore!
commit
|
commitdiff
|
tree
2010-05-21
D
avid van d
e
r Spoe
l
F
i
xed com
p
ilation warning
s
and
remo
v
ed s
p
uriou
s
C
+
.
.
.
commit
|
commitdiff
|
tree
2010-05-20
David van
der Sp
o
el
Made g_
a
nalyze compile again, but ot link
yet
.
commit
|
commitdiff
|
tree
2010-05-19
David
v
an der Spo
e
l
Merge bran
c
h 'master' of git
.
gro
m
acs
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-19
Da
v
id van der Spoel
Added
c
h
e
ck in read_pdb f
o
r
e
x
i
s
ten
c
e
of t_resinfo
.
.
.
commit
|
commitdiff
|
tree
2010-05-18
David van
der Spoel
A
dde
d
a cool
quot
e
, and removed two c
o
mma's in openmp
.
.
.
commit
|
commitdiff
|
tree
2010-05-16
D
a
v
i
d van der Spoel
Merge branch
'
master'
o
f
g
it
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-16
David van der Spoel
Fixed
s
catte
r
ing funct
i
on code in g_r
d
f
.
A
new
file
.
.
.
commit
|
commitdiff
|
tree
2010-04-30
Dav
i
d van der Spoel
Added one
commit
|
commitdiff
|
tree
2010-04-04
David v
a
n der Spoel
Added on
e
.
commit
|
commitdiff
|
tree
2010-04-04
Da
v
id van der Spoel
Merge branc
h
'master' of
git
.
gromac
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-03-12
David
v
an de
r
S
p
oel
M
erge b
r
anch 'master' o
f
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-03-12
Dav
i
d van d
e
r Spoel
Ad
d
e
d
flush after writing to
d
ebug
f
ile
commit
|
commitdiff
|
tree
2010-02-14
D
a
vid van
d
er Spoel
Ad
d
ed function to increase the
array si
z
es in a t
_
atoms
.
.
.
commit
|
commitdiff
|
tree
2010-02-13
David van der Spoel
Repla
c
ed so
m
e strcpy by
strncpy to avoid ov
e
rflows
.
commit
|
commitdiff
|
tree
2010-02-06
David van der Spoel
Repl
a
ced
two strcpy by strncpy
i
n
pdbi
o
.
c
to preve
n
t
.
.
.
commit
|
commitdiff
|
tree
2009-12-14
Davi
d
v
a
n der Spoel
Ch
a
nged atomnumber for O
S
(
opls_17
9
, op
l
s_180)
t
o
8
.
.
.
commit
|
commitdiff
|
tree
2009-12-07
David van der Spoel
Merge branch 'ma
s
ter' of git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2009-12-07
David van der
S
poel
Updated
commit
|
commitdiff
|
tree
2009-12-01
David van der Spoel
Ad
d
ed include/vmdio
.
h to
the install
a
ble head
e
rs due
.
.
.
commit
|
commitdiff
|
tree
2009-11-15
Dav
i
d
van der Spoe
l
Added check
f
o
r
c
hdir re
t
urn value
.
commit
|
commitdiff
|
tree
2009-11-10
David v
a
n der
Spoel
Added
2
!!!
commit
|
commitdiff
|
tree
2009-09-18
D
avi
d
van der Spoel
Added a lot o
f
help tex
t
commit
|
commitdiff
|
tree
2009-09-18
David van der S
p
oel
R
emoved
c
onfusing --dis
a
b
l
e-nice
commit
|
commitdiff
|
tree
2009-09-18
David van der Spoel
Mer
g
e bra
n
ch 'maste
r
' of git
.
gromacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2009-09-18
D
a
vid
van der Spoel
Ad
d
e
d functionality t
o
change directories and back
.
.
.
commit
|
commitdiff
|
tree
2009-09-18
Dav
i
d v
a
n
d
er
S
poel
Fixed c
o
mpilation
i
ss
u
e
.
commit
|
commitdiff
|
tree
2009-09-15
David
v
an der Sp
o
e
l
Mad
e
r
egular hi
s
togram
f
or
g
_
clust
i
ze to rep
r
esent
.
.
.
commit
|
commitdiff
|
tree
2009-09-14
David v
a
n
der Spoel
Merge branch
'master'
o
f
git
.
gro
m
a
cs
.
org:
g
r
o
m
acs
commit
|
commitdiff
|
tree
2009-09-14
David v
a
n der Sp
o
el
Made sta
t
is
t
ics w
o
rk with only 1 d
a
ta point
commit
|
commitdiff
|
tree
2009-08-27
Davi
d
van der Spoe
l
Merge branch 'mas
t
er' of git
.
gr
o
ma
c
s
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2009-08-27
D
a
vid van der Spoel
M
a
de thre
a
d
s
tuff
o
p
t
ional
commit
|
commitdiff
|
tree
2009-08-27
D
avid
van der Spoel
Added m
i
ssing filename
commit
|
commitdiff
|
tree
2009-08-26
David van d
e
r
S
poe
l
Made compila
b
l
e
again
commit
|
commitdiff
|
tree
2009-07-19
David van der Spoel
Removed doubles
commit
|
commitdiff
|
tree
2009-07-10
David van der Spo
e
l
M
e
rge bra
n
ch 'ma
s
ter' of git@g
i
t
.
gromac
s
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2009-07-10
D
avid v
a
n
d
er
Spoel
Fixed err
o
neous checks for NULL pointers
.
commit
|
commitdiff
|
tree