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Redhat now uses rpmbuild instead of rpm to build packages.
2004-01-26
l
i
nda
h
l
Redhat no
w
uses r
p
mbu
i
ld ins
t
e
a
d of rpm to build package
s
.
commit
|
commitdiff
|
tree
2004-01-26
lindahl
Typo
i
n version number;
s
hould be 3
.
2
i
nstead of 3
.
.
.
commit
|
commitdiff
|
tree
2004-01-26
li
n
dahl
Removed the
header c
r
eat
e
d
b
y
the s
c
ript
.
There is
.
.
.
commit
|
commitdiff
|
tree
2004-01-26
lindahl
Remove
d
m
a
n
pa
g
e
f
or obsolete pr
o
gram (p
a
rt of
m
drun
.
.
.
commit
|
commitdiff
|
tree
2004-01-26
linda
h
l
Added
t
h
e analy
s
i
s
library to the rpm
p
ac
k
a
ge de
s
criptions
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Changed index
.
html to online
.
html to avoid updat
i
ng
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
A
dd
e
d switch de
s
cription, an
d
l-bfgs
commit
|
commitdiff
|
tree
2004-01-25
li
n
dahl
U
p
dated documentat
i
on st
u
f
f for rele
a
se
3
.
2
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Up
d
ated html manual pa
g
e
s
for 3
.
2
commit
|
commitdiff
|
tree
2004-01-25
l
ind
a
hl
Updated program list
commit
|
commitdiff
|
tree
2004-01-25
lin
d
ahl
Moved the rea
l
code of analysis prog
r
ams
to gmx_* and
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Re
m
ovi
n
g script
s
, introducing wrapper
binaries inst
e
a
d
.
commit
|
commitdiff
|
tree
2004-01-25
lind
a
h
l
R
e
m
oved scr
i
pts to introduce wrapper binar
i
es
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Remo
v
ing
scripts to
i
ntrod
u
ce wrappe
r
bina
r
ies instea
d
.
commit
|
commitdiff
|
tree
2004-01-25
linda
h
l
Rem
o
ving script
s
an
d
introd
u
cing wrapper binaries
instea
d
.
commit
|
commitdiff
|
tree
2004-01-25
li
n
dahl
Worked around the Intel compiler
being identif
i
ed
as
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Removed i
n
lining of functi
o
ns t
h
at
refer
o
t
h
er functions
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Remov
e
d inlin
i
ng of rando
m
funct
i
ons
.
T
h
e In
t
el compile
r
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Added con
d
itional inclusion of
con
f
ig
.
h
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Chan
g
ed C++ comments to C
-
st
y
le
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Fixed problem o
n
AIX
- even the innerloo
p
bui
l
di
n
g
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
linda
h
l
F
i
x
e
d compiler warning due to
c
onst char argument pointe
r
commit
|
commitdiff
|
tree
2004-01-25
lindahl
Added che
c
k to make sur
e
sh
i
ft/switc
h
i
s
not
used
w
ith
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
linda
h
l
F
ixed pos
s
ible division by ze
r
o when
debu
g
ging
B
uckingham
.
.
.
commit
|
commitdiff
|
tree
2004-01-25
l
ind
a
hl
R
emoved Da
v
id's extra
inclusion o
f
co
n
fig
.
h
commit
|
commitdiff
|
tree
2004-01-25
lindahl
F
ixed th
e
proble
m
with Bucki
n
gham tables
.
For some
.
.
.
commit
|
commitdiff
|
tree
2004-01-23
l
indahl
Fi
x
ed inclu
s
ion of
c
onfig
.
h
commit
|
commitdiff
|
tree
2004-01-23
l
i
n
dahl
Fixed the config
.
h inclusi
o
n
commit
|
commitdiff
|
tree
2004-01-23
li
n
d
ahl
Adde
d
c
o
ndit
i
o
n
a
l
in
c
lusion o
f
config
.
h to sou
r
ce files
commit
|
commitdiff
|
tree
2004-01-23
l
i
ndah
l
Fixed conditional in
c
l
u
s
ion of
c
onfig
.
h
i
n
source f
i
les
commit
|
commitdiff
|
tree
2004-01-23
li
n
dahl
Added condi
t
ional inclusion of c
o
n
fig
.
h to source fi
l
es
.
commit
|
commitdiff
|
tree
2004-01-22
lindahl
U
p
d
ated a com
m
ent, and changed the random number generator
.
.
.
commit
|
commitdiff
|
tree
2004-01-22
l
in
d
a
h
l
Modifi
e
d the gaussia
n
table random nu
m
bers to make
.
.
.
commit
|
commitdiff
|
tree
2004-01-22
lindahl
Ad
d
ed Michael Shirts long-range d
i
spe
r
s
i
on and repulsion
.
.
.
commit
|
commitdiff
|
tree
2004-01-20
linda
h
l
Updated
ve
r
s
ion t
o
3
.
2
.
0
.
commit
|
commitdiff
|
tree
2004-01-05
lindahl
A
d
ded check f
o
r libxml2 to configure script
.
commit
|
commitdiff
|
tree
2003-12-07
lin
d
ahl
Fixe
d
up
th
e
Makefile for the scripts
.
Now it works
.
.
.
commit
|
commitdiff
|
tree
2003-12-07
lind
a
hl
Fixed
e
rro
r
in M
a
k
e
file that
c
a
used the scripts no
t
.
.
.
commit
|
commitdiff
|
tree
2003-12-07
lindahl
Had to move
all wrap
p
er scripts for th
e
analy
s
is pro
g
r
ams
.
.
.
commit
|
commitdiff
|
tree
2003-12-06
lin
d
ah
l
D
ont re
m
ove generated
axp
_
asm
.
S since non-case-sensitiv
e
.
.
.
commit
|
commitdiff
|
tree
2003-12-06
lindahl
Removed
o
l
d line t
h
at manually copied scr
i
pts to bin
d
ir
.
.
.
commit
|
commitdiff
|
tree
2003-12-06
lindahl
W
e
ca
n
t require a fully
working perl insta
l
lation for
.
.
.
commit
|
commitdiff
|
tree
2003-12-05
lindahl
Remo
v
ed
gmx-a
n
a perl
s
c
r
ipt from b
u
i
l
d comman
d
s
.
We
.
.
.
commit
|
commitdiff
|
tree
2003-12-05
lindahl
disco
.
h was
n
ot listed as a source for disco
commit
|
commitdiff
|
tree
2003-12-05
lindahl
Fixe
d
more d
i
stch
e
ck
error
s
commit
|
commitdiff
|
tree
2003-12-05
lind
a
hl
Fixed makefile problems th
a
t
c
aused
mak
e
di
s
tcheck
.
.
.
commit
|
commitdiff
|
tree
2003-12-05
lindahl
Fixed printf format e
r
r
o
r
commit
|
commitdiff
|
tree
2003-12-05
l
indahl
C
o
m
m
ented o
u
t rtp2xm
l
sources since it
is
n
ot part
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lindah
l
R
emoved r
t
p2xml as a default program for 3
.
2
.
0
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Update
d
d
i
hedral generati
o
n to
r
ead options from rtp
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lind
a
hl
We have a bett
e
r CG in mini
m
i
ze
.
c n
o
w
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
F
ixed warnings for automa
k
e-1
.
7
commit
|
commitdiff
|
tree
2003-11-27
li
n
dahl
M
o
d
ified r
t
p files to spec
i
fy
w
hether 1,4 interactions
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Added suppo
r
t for L-BFGS mi
n
imiz
a
tion
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Fix
e
d warning
s
about const ch
a
r
and using unini
t
ialized
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
linda
h
l
Changed a
v
aria
b
le to double -
p
r
o
b
ably doesn
t
aff
e
ct
.
.
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Add
e
d
support fo
r
L-BFGS minimization
.
commit
|
commitdiff
|
tree
2003-11-27
lind
a
hl
Fixed warnings about
c
onst ch
a
r
commit
|
commitdiff
|
tree
2003-11-27
lin
d
ahl
Fi
x
ed acc
u
r
ac
y
b
ug in d
o
ubl
e
p
r
ec
i
sion
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Fixed XD
R
detection warni
n
g
.
commit
|
commitdiff
|
tree
2003-11-27
lindahl
Updated for a
u
tomake 1
.
7 and
fixed
X
DR
detec
t
ion warni
n
g
commit
|
commitdiff
|
tree
2003-11-27
linda
h
l
Updated co
n
figuration files
f
r
om ftp
.
gnu
.
o
r
g
commit
|
commitdiff
|
tree
2003-11-18
l
i
ndahl
Fixed compile
r
warnings
.
commit
|
commitdiff
|
tree
2003-11-18
lindahl
Changed to beta versi
o
ning
commit
|
commitdiff
|
tree
2002-11-09
lindahl
Dihedr
a
l
restrain
t
routine
s
.
commit
|
commitdiff
|
tree
2002-11-08
lind
a
hl
A
d
ded headers for dihe
d
ral restraint routines
.
commit
|
commitdiff
|
tree
2002-11-06
lindahl
Partial commit
o
f the p
r
oject to remove all stati
c
.
.
.
commit
|
commitdiff
|
tree
2002-11-05
lindahl
Removed deprecate
d
/unused
f
ile
s
.
commit
|
commitdiff
|
tree
2002-11-05
li
n
dahl
Removed deprecated files
.
commit
|
commitdiff
|
tree
2002-11-01
lindahl
Removed b
y
mistak
e
commit
|
commitdiff
|
tree
2002-10-31
lindahl
Removed genalg
.
h by mis
t
ake
commit
|
commitdiff
|
tree
2002-10-31
linda
h
l
Removed
g
enalg
.
c by mistake
commit
|
commitdiff
|
tree
2002-10-28
li
n
d
ahl
R
e
m
oved de
p
recate
d
files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Removed unused Pois
s
i
o
n stuf
f
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
R
emoved deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Remo
v
ed deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Rem
o
ved
deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
l
indahl
Removed d
e
precated
fi
l
es
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Removed d
e
precated
f
iles
.
commit
|
commitdiff
|
tree
2002-10-28
l
i
nda
h
l
Removed d
e
pr
e
c
a
ted files
.
commit
|
commitdiff
|
tree
2002-10-28
li
n
dahl
Removed deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
D
eprecated f
u
nctions removed
commit
|
commitdiff
|
tree
2002-10-07
lindahl
Changed the ang
l
e of fl
e
x
i
ble SPC
a
nd SPC/E to be exactly
.
.
.
commit
|
commitdiff
|
tree
2002-10-07
lindahl
Added dvec - this is
a
n rvec which is always do
u
ble
.
.
.
commit
|
commitdiff
|
tree
2002-09-26
lindahl
Fixed
a
stupi
d
b
u
g
in inl3130 tha
t
I introduced in
.
.
.
commit
|
commitdiff
|
tree
2002-09-25
lindah
l
R
emoved st
u
p
i
d
a
sm debug code from ewald_util
.
c
commit
|
commitdiff
|
tree
2002-09-24
li
n
dahl
R
emov
e
d a debug
m
essage from
ewal
d
_ut
i
l
.
c
commit
|
commitdiff
|
tree
2002-09-20
lind
a
hl
Removed un
u
sed o
p
t
i
mizations in mkinl
.
commit
|
commitdiff
|
tree
2002-09-12
lindahl
Fixed a bug
i
n inl1130
that I introd
u
ced when fixing
.
.
.
commit
|
commitdiff
|
tree
2002-09-09
lind
a
hl
Fixed a bug a
f
f
ecti
n
g t
h
e energy (no
t
forces) for odd
.
.
.
commit
|
commitdiff
|
tree
2002-08-02
lindahl
U
pdated gcc co
m
piler and flag detect
i
on o
n
O
S X
commit
|
commitdiff
|
tree
2002-08-01
l
i
n
d
ahl
Im
p
r
oved the performance on
Powerpc by t
w
eaking the
.
.
.
commit
|
commitdiff
|
tree
2002-07-02
lindahl
Modified bond name
s
in A
R
GN
commit
|
commitdiff
|
tree
2002-06-25
linda
h
l
Inc
r
eased t
h
e ex
t
r
a
tabl
e
dist
a
nce from 0
.
6 to 1
.
2
commit
|
commitdiff
|
tree
2002-06-25
l
indahl
I
n
cre
a
sed ex
t
r
a
t
ab
l
e
d
is
t
a
n
ce from 0
.
6 to 1
.
0
.
commit
|
commitdiff
|
tree
2002-06-25
l
indah
l
Fixed a
b
ug in th
e
pdb-writing co
d
e
.
commit
|
commitdiff
|
tree
2002-06-13
lindahl
A
d
ded
c
onstraints section
commit
|
commitdiff
|
tree
2002-06-13
lindahl
Added dum
m
y2 parameter
s
generation routine
.
commit
|
commitdiff
|
tree
2002-06-13
lin
d
ah
l
Removed
n
o
n
-
workin
g
and non-
u
s
e
d
dummy2 parameter routi
n
e
.
commit
|
commitdiff
|
tree
2002-06-13
lindahl
Fixed
a
pro
b
lem with
m
e
t
a
l ion
a
tomtypes
.
commit
|
commitdiff
|
tree
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