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Partial commit of the project to remove all static variables.
2002-11-06
lindahl
Partial commit of the project
t
o
r
e
m
o
v
e all static
.
.
.
commit
|
commitdiff
|
tree
2002-11-05
lindah
l
R
e
moved d
e
preca
t
ed/unused f
i
les
.
commit
|
commitdiff
|
tree
2002-11-05
lindahl
R
emoved deprecated
files
.
commit
|
commitdiff
|
tree
2002-11-01
lindahl
Removed by m
i
s
t
a
ke
commit
|
commitdiff
|
tree
2002-10-31
linda
h
l
R
e
m
oved genalg
.
h by mistake
commit
|
commitdiff
|
tree
2002-10-31
l
i
nd
a
hl
Remove
d
genalg
.
c by mistake
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Removed deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Rem
o
v
ed unused Poission stuff
.
commit
|
commitdiff
|
tree
2002-10-28
lindah
l
R
emoved depr
e
c
ated
f
iles
.
commit
|
commitdiff
|
tree
2002-10-28
linda
h
l
R
emoved depre
c
ated fi
l
es
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Removed d
e
p
recate
d
files
.
commit
|
commitdiff
|
tree
2002-10-28
li
n
dahl
Removed d
e
precate
d
f
i
l
es
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
Removed deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
l
i
n
d
a
hl
Re
m
oved deprecated files
.
commit
|
commitdiff
|
tree
2002-10-28
li
n
dahl
Re
m
oved d
e
precated
f
iles
.
commit
|
commitdiff
|
tree
2002-10-28
lindahl
D
e
precate
d
functions removed
commit
|
commitdiff
|
tree
2002-10-07
l
i
ndah
l
Changed th
e
angle
o
f flexible SPC an
d
SP
C
/E to be ex
a
c
t
l
y
.
.
.
commit
|
commitdiff
|
tree
2002-10-07
l
indahl
Added dvec - th
i
s is
a
n rvec which is always
d
oub
l
e
.
.
.
commit
|
commitdiff
|
tree
2002-09-26
l
i
nda
h
l
F
ix
e
d
a
st
u
p
id bug in inl3130 t
h
at I i
n
troduced in
.
.
.
commit
|
commitdiff
|
tree
2002-09-25
lindah
l
Rem
o
ved
s
tupid as
m
debug
c
o
d
e
from ewa
l
d
_
util
.
c
commit
|
commitdiff
|
tree
2002-09-24
li
n
dahl
R
emoved a debug message
f
rom e
w
ald_util
.
c
commit
|
commitdiff
|
tree
2002-09-20
lindahl
Remo
v
ed u
n
used
o
ptimizations in mkinl
.
commit
|
commitdiff
|
tree
2002-09-12
lindahl
Fixed a bug in inl1130 tha
t
I
intro
d
u
c
ed when
f
ixing
.
.
.
commit
|
commitdiff
|
tree
2002-09-09
l
i
ndahl
Fixed a bug aff
e
c
t
i
ng the energy (not forces) for od
d
.
.
.
commit
|
commitdiff
|
tree
2002-08-02
l
indahl
Updated gcc com
p
iler an
d
flag
detection on
OS X
commit
|
commitdiff
|
tree
2002-08-01
lin
d
a
hl
Improved the perform
a
nc
e
on Powerpc by tweaking the
.
.
.
commit
|
commitdiff
|
tree
2002-07-02
l
indahl
Modified bond na
m
es in ARGN
commit
|
commitdiff
|
tree
2002-06-25
l
indahl
In
c
r
eased the extra table dist
a
nce
f
rom 0
.
6
to 1
.
2
commit
|
commitdiff
|
tree
2002-06-25
lindahl
Increased ex
t
r
a
table distance f
r
o
m
0
.
6 t
o
1
.
0
.
commit
|
commitdiff
|
tree
2002-06-25
l
i
ndahl
Fixed a bug in the
pdb-writing code
.
commit
|
commitdiff
|
tree
2002-06-13
lin
d
ahl
Added co
n
str
a
ints sec
t
io
n
commit
|
commitdiff
|
tree
2002-06-13
lindahl
Added dum
m
y2 parame
t
ers
g
ener
a
tion routine
.
commit
|
commitdiff
|
tree
2002-06-13
lindahl
R
emoved non-work
i
ng and non-used dummy2 parameter routine
.
commit
|
commitdiff
|
tree
2002-06-13
lin
d
ahl
Fixed
a problem
w
ith metal ion atomt
y
pes
.
commit
|
commitdiff
|
tree
2002-06-12
lindahl
Added meta
l
ions
t
o OPLS
.
commit
|
commitdiff
|
tree
2002-06-12
lindahl
Added dummy
database f
i
les
commit
|
commitdiff
|
tree
2002-06-12
linda
h
l
Imp
l
emented free energy for Rycka
e
r
t-B
e
llem
a
ns
so
we
.
.
.
commit
|
commitdiff
|
tree
2002-06-12
l
i
ndahl
F
ixed mass distribution bug
in dum
m
y
g
en
e
ration r
o
utines
.
commit
|
commitdiff
|
tree
2002-06-07
l
i
ndahl
Changed ato
m
ty
p
e renumber
i
ng t
o
m
e
rge type
s
with ident
i
cal
.
.
.
commit
|
commitdiff
|
tree
2002-06-07
lindahl
Fixed the path-
s
earchin
g
when
c
omma
n
d i
s
given
as a
.
.
.
commit
|
commitdiff
|
tree
2002-06-07
l
ind
a
hl
A
dded dumm
y
cons
t
ruction types
commit
|
commitdiff
|
tree
2002-06-06
lindahl
Renamed opls :-)
commit
|
commitdiff
|
tree
2002-06-06
lindahl
U
p
dated OPLS rt
p
database wit
h
reparamete
r
ized dihedr
a
l
s
.
commit
|
commitdiff
|
tree
2002-06-05
lindahl
Modifi
e
d
f
orcefield and topology pa
r
sing for O
P
LS-aa
.
commit
|
commitdiff
|
tree
2002-06-05
lindahl
Added the OPLS
all-
a
tom
force field
.
This re
q
uires
.
.
.
commit
|
commitdiff
|
tree
2002-05-23
lindahl
Changed a
n
r+
p
ermission to r, t
o
allow
r
ead-o
n
ly xdr
.
.
.
commit
|
commitdiff
|
tree
2002-05-02
l
in
d
ahl
Modified th
e
termini
d
atabase routines
t
o automatic
a
lly
.
.
.
commit
|
commitdiff
|
tree
2002-05-02
li
n
d
ahl
Implem
e
n
t
ed support fo
r
separa
t
e atom types for bonded
.
.
.
commit
|
commitdiff
|
tree
2002-04-23
lindahl
Changed the order
s
o w
e
first check
2
-
atom dihedrals
.
.
.
commit
|
commitdiff
|
tree
2002-04-23
l
indahl
Implemented a fifth and six col
u
mn t
o
support au
t
omati
c
.
.
.
commit
|
commitdiff
|
tree
2002-04-18
linda
h
l
Fixed comm
e
nt a
b
out
SSE not bei
n
g used on A
t
hlon XP
.
.
.
commit
|
commitdiff
|
tree
2002-04-13
l
i
ndahl
F
ixed a c
o
mpi
l
e error in double precision gm
x
_erf
.
.
.
.
commit
|
commitdiff
|
tree
2002-04-03
lindahl
Implemented intel
c
o
m
pil
e
r suppor
t
on ia64
.
commit
|
commitdiff
|
tree
2002-04-02
lindahl
F
i
x
e
d comp
i
le-time wa
r
nin
g
s and made tools co
m
p
ile
.
.
.
commit
|
commitdiff
|
tree
2002-04-02
li
n
dahl
Cha
n
g
e
d default
install
a
tion loc
a
tion
on w
i
ndows
commit
|
commitdiff
|
tree
2002-04-02
lind
a
hl
Modified futil to
s
u
pport window
s
a
nd cygwi
n
.
commit
|
commitdiff
|
tree
2002-04-02
lindahl
Fixed compil
e
r warnings and a li
n
ke
r
error msg in
g
m
x_
s
ystem
.
.
.
commit
|
commitdiff
|
tree
2002-04-01
l
i
ndahl
Remove
d
an unused
s
t
a
t
ement (dr
.
n
d
r=0) tha
t
cau
s
ed
.
.
.
commit
|
commitdiff
|
tree
2002-04-01
lindahl
R
e
moved an
d
ub
i
ous st
a
tement; dt was calculate
s
as
.
.
.
commit
|
commitdiff
|
tree
2002-04-01
li
n
d
a
hl
Changes u_short to un
s
igned
s
hort for portability
.
commit
|
commitdiff
|
tree
2002-04-01
lindahl
Imple
m
ented win32 a
n
d cygwin s
u
pport
.
commit
|
commitdiff
|
tree
2002-03-09
lind
a
hl
F
i
xed op
t
i
m
ization opt
i
ons
fo
r
rs6
0
00 when identified
.
.
.
commit
|
commitdiff
|
tree
2002-03-07
li
n
dahl
I
n
troduced develo
p
ment versioning & warni
n
g
s
in hea
d
.
.
.
commit
|
commitdiff
|
tree
2002-03-07
lindahl
T
hi
s
file
is created by
the
bootstrap sc
r
ip
t
commit
|
commitdiff
|
tree
2002-03-01
li
n
dahl
Fixed shell s
c
ript
test cons
t
ruc
t
s that
d
idn't work
.
.
.
commit
|
commitdiff
|
tree
2002-03-01
lind
a
hl
Added x86
_
sse2
.
h to
t
he distribution
m
a
kefi
l
e
commit
|
commitdiff
|
tree
2002-02-28
lindahl
U
p
date
d
v
ersion numbers
commit
|
commitdiff
|
tree
2002-02-28
l
i
nda
h
l
Removed the develo
p
ment
v
e
r
sion warn
i
ng
.
commit
|
commitdiff
|
tree
2002-02-28
lindahl
For
g
ot to remo
v
e
t
h
e
beta de
s
ignation befor
e
creatin
g
.
.
.
commit
|
commitdiff
|
tree
2002-02-28
lindahl
Removed default
s
entries - they
a
re in the
forcefield
.
.
.
commit
|
commitdiff
|
tree
2002-02-28
l
indahl
Updated m
a
nual
a
nd html
p
ages, and changed
v
ers
i
on
.
.
.
commit
|
commitdiff
|
tree
2002-02-28
lindahl
Updated scripts to ma
k
e 3
.
1 do
c
umentation
commit
|
commitdiff
|
tree
2002-02-26
lind
a
hl
Fi
x
ed minor bu
g
s in PPC G3 d
e
tection
.
commit
|
commitdiff
|
tree
2002-02-19
lindahl
Added a (lost?) topology fil
e
to the distribution,
.
.
.
commit
|
commitdiff
|
tree
2002-02-16
l
i
n
d
ahl
Updated rpm
s
c
ripts for redhat 7
.
2, and moved stuff
.
.
.
commit
|
commitdiff
|
tree
2002-02-16
lindahl
Fixed minor distribu
t
ion ma
k
efile
b
u
g
s
commit
|
commitdiff
|
tree
2002-02-14
l
i
ndahl
Fixed th
e
"make links" target, and upda
t
ed dssp to
.
.
.
commit
|
commitdiff
|
tree
2002-02-13
lind
a
hl
Fixed
a
no
-
li
n
eb
r
e
a
k-at-end-of
-
file warnin
g
commit
|
commitdiff
|
tree
2002-02-13
lindahl
Updated
version for the beta re
l
ease
commit
|
commitdiff
|
tree
2002-02-11
lind
a
hl
Up
d
ated
version n
u
mber
s
.
commit
|
commitdiff
|
tree
2002-01-29
linda
h
l
Fixed bugs i
n
the cha
r
ge
a
nd
d
ipo
l
e Ewa
l
d corre
c
tions
.
commit
|
commitdiff
|
tree
2002-01-24
l
indahl
Made large file supp
o
r
t more foolproof
.
commit
|
commitdiff
|
tree
2002-01-24
lin
d
a
h
l
SSE2 doubl
e
precision assem
b
ly
l
o
o
ps
.
commit
|
commitdiff
|
tree
2002-01-24
lindahl
Removed obsol
e
te files
commit
|
commitdiff
|
tree
2002-01-24
linda
h
l
Removed o
b
solete files
commit
|
commitdiff
|
tree
2002-01-24
lindahl
A
d
ded SSE2 inner loop
s
upp
o
rt, and fi
x
ed a
f
or
m
at in
.
.
.
commit
|
commitdiff
|
tree
2002-01-24
lindahl
SSE2 d
o
ub
l
e p
r
e
c
i
s
ion assembly supp
o
rt
,
and support
.
.
.
commit
|
commitdiff
|
tree
2002-01-24
lindahl
N
ew
c
onf
i
g
.
g
uess that corr
e
ctly identif
i
es
the
intel
.
.
.
commit
|
commitdiff
|
tree
2002-01-24
l
ind
a
hl
U
p
dated
c
onfi
g
ure scrip
t
to supp
o
rt intel compiler
s
.
.
.
commit
|
commitdiff
|
tree
2002-01-24
lindah
l
Up
d
at
e
d conf
i
g
ure script to
s
up
p
o
rt in
t
el
compil
e
r
s
.
.
.
commit
|
commitdiff
|
tree
2001-11-22
li
n
dah
l
Added
non-f
o
rc
e
(monte
c
a
r
l
o
) inner loo
p
s using
S
SE
.
.
.
commit
|
commitdiff
|
tree
2001-11-22
lindahl
Add
e
d inner lo
o
ps without force calcul
a
ti
o
n (for monte
.
.
.
commit
|
commitdiff
|
tree
2001-11-16
lindahl
Re
m
o
v
ed
m
alloc
.
h
checki
n
g - it should be incl
u
ded through
.
.
.
commit
|
commitdiff
|
tree
2001-11-15
lindahl
Use re
d
irection iso sec
o
nd name for cpp on OS X
.
commit
|
commitdiff
|
tree
2001-11-15
l
indah
l
Forgot
t
o re
p
la
c
e check_x86cp
u
with detect_c
p
u in do
_
14
commit
|
commitdiff
|
tree
2001-11-15
lindah
l
Chan
g
ed the x86 c
p
u chec
k
t
o
a
g
en
e
ral
cpu det
e
c
tion
.
.
.
commit
|
commitdiff
|
tree
2001-11-15
lindahl
Removed x86trunc when using d
o
uble prec
.
(registers
.
.
.
commit
|
commitdiff
|
tree
2001-11-15
lindahl
A
dded
a
ltivec
inner
loops
.
T
he cpu det
e
ction
h
as
been
.
.
.
commit
|
commitdiff
|
tree
2001-11-15
l
i
ndahl
Updated article reference
.
commit
|
commitdiff
|
tree
2001-11-15
lindahl
Updated a
r
ticle reference
.
commit
|
commitdiff
|
tree
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