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Redhat now uses rpmbuild instead of rpm to build packages.
2004-01-26
lin
d
ahl
Redha
t
now uses rpmbuild instead
o
f r
p
m to
b
uild pac
k
a
g
e
s
.
commit
|
commitdiff
|
tree
2004-01-26
linda
h
l
Typo in ve
r
sio
n
numbe
r
; shou
l
d be 3
.
2
i
nstead of 3
.
.
.
commit
|
commitdiff
|
tree
2004-01-26
lindahl
Removed the
h
eader create
d
by
the sc
r
ipt
.
T
h
ere i
s
.
.
.
commit
|
commitdiff
|
tree
2004-01-26
lind
a
hl
Rem
o
ved manpag
e
for obsolete program
(part of mdrun
.
.
.
commit
|
commitdiff
|
tree
2004-01-26
lindahl
Ad
d
e
d
the analysis
library to the rpm package descripti
o
ns
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Changed i
n
dex
.
html
t
o on
l
in
e
.
h
tml to avoid
updating
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Added
s
w
itch descri
p
tion,
a
nd l-bfgs
commit
|
commitdiff
|
tree
2004-01-25
lind
a
h
l
Up
d
a
ted doc
u
me
n
t
a
t
i
on st
u
ff for re
l
ease 3
.
2
commit
|
commitdiff
|
tree
2004-01-25
li
n
dah
l
Updated html manual pages for 3
.
2
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Updated program list
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Moved the
rea
l
code
of a
n
aly
s
i
s program
s
to g
m
x_* and
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
linda
h
l
R
e
moving
s
cripts, introducing wrapper binaries instea
d
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Removed scripts to introd
u
ce wrapper binaries
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Removin
g
s
c
ripts to introduce
w
rapper binaries instead
.
commit
|
commitdiff
|
tree
2004-01-25
li
n
dahl
Removing scripts and in
t
roduci
n
g
wrapper bin
a
ries
i
n
ste
a
d
.
commit
|
commitdiff
|
tree
2004-01-25
l
i
ndahl
Worke
d
around the
I
n
tel compiler being identified a
s
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
li
n
d
a
hl
Remove
d
inlining of functions th
a
t refer other functions
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
l
i
ndahl
Removed inli
n
ing of random functions
.
The I
n
t
e
l compiler
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
A
d
d
ed cond
i
tional inclusion of conf
i
g
.
h
commit
|
commitdiff
|
tree
2004-01-25
l
indahl
Changed
C
++ commen
t
s
to C-style
commit
|
commitdiff
|
tree
2004-01-25
l
indahl
F
ixed problem on
A
IX - even the innerloop building
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
l
inda
h
l
Fixed co
m
piler warning due
to cons
t
char argument pointer
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Added
c
heck to make su
r
e shift/switc
h
i
s
not used w
i
th
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lin
d
ahl
Fixed po
s
s
ible
d
i
vis
i
on by
z
ero when
d
e
bugging Buckingh
a
m
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lind
a
hl
Removed David's
extra incl
u
sion of config
.
h
commit
|
commitdiff
|
tree
2004-01-25
li
n
dahl
Fi
x
e
d
th
e
p
roble
m
with Buckingham tables
.
For some
.
.
.
commit
|
commitdiff
|
tree
2004-01-23
lin
d
ahl
Fix
e
d
i
n
clusi
o
n
of con
f
ig
.
h
commit
|
commitdiff
|
tree
2004-01-23
lindahl
F
ixed the co
n
fig
.
h inclusion
commit
|
commitdiff
|
tree
2004-01-23
l
i
nd
a
hl
Added conditional inclu
s
ion of c
o
nfig
.
h to source
files
commit
|
commitdiff
|
tree
2004-01-23
lindahl
Fixed
con
d
itio
n
al in
c
l
usion of confi
g
.
h
i
n source files
commit
|
commitdiff
|
tree
2004-01-23
linda
h
l
Added c
o
nditional
inclusion
o
f
c
onfig
.
h to source fi
l
es
.
commit
|
commitdiff
|
tree
2004-01-22
l
i
n
d
a
hl
Updated a com
m
ent, and changed
the random numbe
r
generator
.
.
.
commit
|
commitdiff
|
tree
2004-01-22
l
indahl
Modifie
d
t
he
gaussian table r
a
ndom n
u
mbers to
m
ake
.
.
.
commit
|
commitdiff
|
tree
2004-01-22
li
n
dahl
Added Michael
Sh
i
rt
s
long-ran
g
e disper
s
io
n
and repulsion
.
.
.
commit
|
commitdiff
|
tree
2004-01-20
lindahl
U
p
dated
version to 3
.
2
.
0
.
commit
|
commitdiff
|
tree
2004-01-05
lindahl
Added che
c
k for libx
m
l2 to c
o
n
fi
g
ure
script
.
commit
|
commitdiff
|
tree
2003-12-07
lindahl
Fixed up the Makefi
l
e
f
or the script
s
.
N
o
w it works
.
.
.
commit
|
commitdiff
|
tree
2003-12-07
lindahl
F
i
xed error in Makefile th
a
t
caus
e
d th
e
s
c
ripts not
.
.
.
commit
|
commitdiff
|
tree
2003-12-07
linda
h
l
H
a
d
to move all wrap
p
er scripts
for the analysis programs
.
.
.
commit
|
commitdiff
|
tree
2003-12-06
lind
a
hl
Dont remove
generated
a
xp_a
s
m
.
S sinc
e
non-case
-
sensitive
.
.
.
commit
|
commitdiff
|
tree
2003-12-06
lindah
l
Re
m
oved
old line that ma
n
uall
y
copied
s
c
ripts to bindir
.
.
.
commit
|
commitdiff
|
tree
2003-12-06
lin
d
ahl
We cant require a fully
w
orking perl insta
l
lation for
.
.
.
commit
|
commitdiff
|
tree
2003-12-05
lindahl
R
emoved g
m
x-ana per
l
script
f
r
om build
c
om
m
ands
.
We
.
.
.
commit
|
commitdiff
|
tree
2003-12-05
l
i
ndahl
disco
.
h was not
listed as a s
o
urce f
o
r di
s
co
commit
|
commitdiff
|
tree
2003-12-05
li
n
dahl
Fix
e
d mo
r
e distcheck errors
commit
|
commitdiff
|
tree
2003-12-05
l
in
d
ahl
Fixed makefil
e
proble
m
s that caused ma
k
e
dist
c
h
ec
k
.
.
.
commit
|
commitdiff
|
tree
2003-12-05
lindahl
Fix
e
d
printf fo
r
mat
erro
r
commit
|
commitdiff
|
tree
2003-12-05
lindahl
Commente
d
out rt
p
2xml sources since it is not pa
r
t
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
l
ind
a
h
l
Removed
rt
p
2xml as a defau
l
t pr
o
gram for 3
.
2
.
0
commit
|
commitdiff
|
tree
2003-11-27
linda
h
l
U
pdated dihedra
l
generation to read
optio
n
s from rtp
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
We have a
b
ett
e
r CG
in
m
i
nimize
.
c
now
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Fixed war
n
ings for auto
m
ak
e
-1
.
7
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Mo
d
i
fied rtp files to specify whether
1,4 inter
a
ctions
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Added support for L-BFGS mi
n
imization
.
commit
|
commitdiff
|
tree
2003-11-27
l
in
d
ahl
F
ix
e
d warnings
a
bout const char a
n
d usi
n
g uninitiali
z
ed
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lin
d
ahl
Ch
a
nged a
v
ariable to doubl
e
- p
r
obably doesnt affect
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Adde
d
s
upport fo
r
L
-
BFGS mi
n
imiz
a
tion
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Fixed w
a
rnings ab
o
ut
c
onst
c
h
ar
commit
|
commitdiff
|
tree
2003-11-27
lindahl
F
ixed
accuracy bug in double precisio
n
.
commit
|
commitdiff
|
tree
2003-11-27
li
n
dahl
F
ixed XD
R
detection warning
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Up
d
ate
d
for
a
u
t
o
make 1
.
7 and
fixed XDR detection w
a
r
ning
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Updated co
n
figuration files from ftp
.
gnu
.
org
commit
|
commitdiff
|
tree
2003-11-18
linda
h
l
Fixed
compiler warni
n
gs
.
commit
|
commitdiff
|
tree
2003-11-18
l
i
ndah
l
C
hange
d
to beta versioning
commit
|
commitdiff
|
tree
2002-11-09
lindahl
Dihedral restraint routin
e
s
.
commit
|
commitdiff
|
tree
2002-11-08
lindahl
Added headers for dihedra
l
restr
a
i
n
t r
o
utines
.
commit
|
commitdiff
|
tree
2002-11-06
lindahl
Partial c
o
m
mit
o
f the
p
roject to rem
o
ve all static
.
.
.
commit
|
commitdiff
|
tree
2002-11-05
l
i
n
d
ahl
Rem
o
ved deprecated/unused files
.
commit
|
commitdiff
|
tree
2002-11-05
l
i
n
dahl
Removed de
p
recated files
.
commit
|
commitdiff
|
tree
2002-11-01
lindahl
Removed by
mistak
e
commit
|
commitdiff
|
tree
2002-10-31
l
i
n
dahl
Removed genalg
.
h
b
y mistake
commit
|
commitdiff
|
tree
2002-10-31
lindahl
Remov
e
d genalg
.
c by mistake
commit
|
commitdiff
|
tree
2002-10-28
lin
d
ahl
Removed
d
eprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lind
a
hl
Removed
u
nused P
o
iss
i
on stuf
f
.
commit
|
commitdiff
|
tree
2002-10-28
l
indahl
Removed depre
c
ated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindah
l
Removed dep
r
ecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Remo
v
ed deprecated fil
e
s
.
commit
|
commitdiff
|
tree
2002-10-28
lindah
l
Removed deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Removed deprecated fi
l
es
.
commit
|
commitdiff
|
tree
2002-10-28
lind
a
hl
Removed
d
epreca
t
e
d
files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Remo
v
ed dep
r
ec
a
te
d
f
i
le
s
.
commit
|
commitdiff
|
tree
2002-10-28
linda
h
l
Dep
r
ecated func
t
io
n
s removed
commit
|
commitdiff
|
tree
2002-10-07
lindah
l
Change
d
the
a
ngle of
f
l
e
xible SPC
a
n
d SPC/E t
o
b
e
exact
l
y
.
.
.
commit
|
commitdiff
|
tree
2002-10-07
lindahl
Added dvec - this is an rvec which
i
s
a
lways
d
ou
b
le
.
.
.
commit
|
commitdiff
|
tree
2002-09-26
l
indahl
Fixed a stupid
b
ug i
n
inl
3
130 that I in
t
roduced in
.
.
.
commit
|
commitdiff
|
tree
2002-09-25
l
indahl
R
emov
e
d
s
tupid
a
sm debug code fr
o
m ew
a
l
d
_util
.
c
commit
|
commitdiff
|
tree
2002-09-24
l
i
ndahl
Removed a de
b
ug me
s
s
a
ge f
r
om ewa
l
d_util
.
c
commit
|
commitdiff
|
tree
2002-09-20
lindahl
Removed unused opti
m
izations in mkinl
.
commit
|
commitdiff
|
tree
2002-09-12
li
n
d
ahl
Fixed a bug in inl1130 that
I int
r
oduced whe
n
f
ixin
g
.
.
.
commit
|
commitdiff
|
tree
2002-09-09
lindah
l
Fixed a
b
u
g
affecting the
ene
r
gy (
n
ot
f
orces) for odd
.
.
.
commit
|
commitdiff
|
tree
2002-08-02
lindahl
Updated g
c
c
c
omp
i
ler and f
l
a
g de
t
e
ction on OS X
commit
|
commitdiff
|
tree
2002-08-01
l
i
ndahl
Improved the perfo
r
manc
e
on Powerpc by tweaking the
.
.
.
commit
|
commitdiff
|
tree
2002-07-02
linda
h
l
Modi
f
ied bon
d
names in A
R
GN
commit
|
commitdiff
|
tree
2002-06-25
l
i
ndahl
Incr
e
ased
the extra table distance
f
r
om 0
.
6 to
1
.
2
commit
|
commitdiff
|
tree
2002-06-25
linda
h
l
I
ncreased extra table distance
f
r
o
m 0
.
6 to 1
.
0
.
commit
|
commitdiff
|
tree
2002-06-25
linda
h
l
Fixed a
bug in t
h
e pdb-writi
n
g code
.
commit
|
commitdiff
|
tree
2002-06-13
lindah
l
Added con
s
traints secti
o
n
commit
|
commitdiff
|
tree
2002-06-13
lindahl
A
d
ded du
m
my2 p
a
r
ameter
s
generat
i
on ro
u
tine
.
commit
|
commitdiff
|
tree
2002-06-13
li
n
dahl
R
e
mo
v
ed non
-
working and non
-
u
s
ed dum
m
y2 param
e
ter routine
.
commit
|
commitdiff
|
tree
2002-06-13
lindahl
Fixed a p
r
oblem
w
it
h
m
e
tal ion atomtypes
.
commit
|
commitdiff
|
tree
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