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Added longer list of authors...
2010-08-27
Eri
k
Lindahl
Added
l
onger list of a
u
thor
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Er
i
k Lindahl
Merge br
a
nch 'release-4-5-patches' of git
.
grom
a
cs
.
or
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Erik Li
n
dahl
Added c
h
eck for S
S
E2 su
p
p
o
rt to use gener
a
lized born
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Added trjconv ch
e
ck f
o
r topolog
y
p
rescence,
s
e
e bu
g
zi
l
la
526
commit
|
commitdiff
|
tree
2010-08-27
Eri
k
Lind
a
h
l
Merge branch
'
release-4-5
-
p
at
c
h
e
s' o
f
g
it
.
gromacs
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
E
rik Lindah
l
Fixed
gmxcp
p
t
o
always use unix path separato
r
s in
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merg
e
branch 'release-
4
-
5-patches' o
f
git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Er
i
k
L
indahl
F
ixed another
uninitialized
variabl
e
warni
n
g in g
m
x_energy
.
c
commit
|
commitdiff
|
tree
2010-08-27
Erik Linda
h
l
Add current path (
.
/) to topol
.
t
o
p inc
l
ude when force
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Erik Li
n
da
h
l
Dont write EO
F
warnings
t
o stdout every time we checkp
o
int
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merge branch 're
l
e
a
s
e-4-
5
-
p
at
c
hes' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Er
i
k Linda
h
l
F
ixed first statememe
n
t
occuring be
f
o
r
e variable declaration
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lin
d
ahl
Merge branch 'release-
4
-5-patc
h
es'
of git
.
groma
c
s
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lin
d
ahl
M
o
d
ifi
e
d
pdb2gmx
to aut
o
mati
c
al
l
y pick the f
o
rce
f
ield
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
E
r
ik
L
i
n
d
ahl
Fixed
pointer typo
i
n patc
h
from
Alexey Shvet
s
ov
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Ad
d
ed PBC checki
n
g patch to g
_
cluster from Alexey Shvetsov
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Merge
b
ranc
h
'releas
e
-4-5-patches' of g
i
t
.
g
romacs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Mo
d
ified
p
db2gmx to
not
a
ccept extra hydrogen atoms
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lin
d
ah
l
Merge branch 'release-
4
-5-patches'
o
f
git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik
L
inda
h
l
t
r
u
e
/
false
input settings sh
o
uld be
c
alle
d
b
ool i
n
stead
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Merg
e
b
r
a
nch
'r
e
lease-4-5-
p
atches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik
L
indahl
Reve
r
t "M
a
de pdb2gmx be slightly
more h
e
l
p
ful
wh
e
n
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
E
rik L
i
nda
h
l
Upd
a
t
ed c
o
mple
t
i
o
ns for
4
.
5
release
commit
|
commitdiff
|
tree
2010-08-26
Er
i
k
L
indahl
Made /usr/local/gr
o
macs
default in
s
talla
t
ion path in
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik L
i
ndahl
Updated html do
c
umentat
i
on for release 4
.
5
commit
|
commitdiff
|
tree
2010-08-26
Erik Lind
a
h
l
Updated
manual pages
,
n
ow with co
r
rect version (4
.
5
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Fix
f
o
r
w
arni
n
g in
ngmx makefile
commit
|
commitdiff
|
tree
2010-08-26
Erik L
i
ndahl
Changed ver
s
ion
t
o b
e
ta4
commit
|
commitdiff
|
tree
2010-08-26
E
rik Lin
d
a
h
l
Up
d
a
ted sc
r
i
p
ts to produc
e
4
.
5 m
a
n
p
ages
commit
|
commitdiff
|
tree
2010-08-26
Erik
Lindahl
U
p
dated manpages for
4
.
5 release
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Remov
e
d useless g_logo and g_highway prog
r
ams from
.
.
.
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
g
_
ki
n
etics removed from automatically b
u
i
l
t programs
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
E
r
ik Lindahl
F
ixed include
pa
t
h
in v
m
d
io
.
h
commit
|
commitdiff
|
tree
2010-08-25
Erik Lindahl
Forgot to ac
t
u
ally do the char->int change
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
Erik Linda
h
l
Change
d
boo
l
t
o
signed integer ins
t
e
a
d of
unsigned
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
E
rik Lindahl
A
dded
m
is
s
ing hea
d
er inc
l
ude
commit
|
commitdiff
|
tree
2010-08-25
Erik Lindahl
Merge br
a
nch 'release-4-5-
p
atch
e
s' of git
.
g
romacs
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-08-25
Erik Lindahl
Made sure
al
l
source files have some copyright
h
eader
.
.
.
commit
|
commitdiff
|
tree
2010-08-24
Erik Lin
d
a
hl
Re-adde
d
ope
n
mm pap
e
r
commit
|
commitdiff
|
tree
2010-08-24
Erik Lindahl
Merge branch
'
r
eleas
e
-
4-
5
-patc
h
es' of
git
.
g
r
omacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-24
E
rik Lindahl
Update
d
int
e
l syntax x86
-
64 asm files to also suppor
t
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Erik Lindahl
Fixed uninitia
l
iz
e
d varia
b
le
error
i
n GB
k
ernel with
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
E
rik Lindahl
Fixed an
u
nsigned/signed
i
n
t
eger com
p
ari
s
on
commit
|
commitdiff
|
tree
2010-08-22
Erik Li
n
d
a
hl
Fixed
t
wo m
o
re insta
n
ces of strcase
c
mp->gmx_str
c
asec
m
p
commit
|
commitdiff
|
tree
2010-08-22
Er
i
k Lindah
l
Copied
S
S
E
in
t
rinsics
k
e
r
nels from x86-64 to ia
3
2
commit
|
commitdiff
|
tree
2010-08-22
Erik Linda
h
l
Replaced all occuren
c
es
of str(n)casecmp wi
t
h
g
mx_str
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Erik Lin
d
ahl
Fixed stupid mistake wher
e
a
statement was place
d
before
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Erik Lind
a
hl
Re
p
laced testing of git version wit
h
testin
g
for
f
e
atu
r
e
s
commit
|
commitdiff
|
tree
2010-08-22
Erik
Lindahl
F
ixed nam
i
ng probl
e
ms for double precis
i
on
F
o
r
tran
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
E
r
ik Lindahl
Fixed a typo
in futil
.
h
commit
|
commitdiff
|
tree
2010-08-22
Erik L
i
nda
h
l
Mer
g
e
branc
h
'release-4-5-patche
s
' of git
.
groma
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Erik
L
indahl
Cleaned
u
p all in
s
talle
d
he
a
d
e
r
s to re
m
ove strict
d
e
pe
n
d
ence
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Erik Lin
d
ahl
Removed some unnec
e
ssary #ifdefs from string2
.
h; all
.
.
.
commit
|
commitdiff
|
tree
2010-08-22
Erik Lindahl
Ambe
r
force fields now pass val
i
d
ation
.
Beta status
.
.
.
commit
|
commitdiff
|
tree
2010-08-21
Erik Lindahl
Add
e
d
F
77 kerne
l
setup hea
d
ers
commit
|
commitdiff
|
tree
2010-08-21
Erik Lindah
l
Fixed syn
c
h
r
o
niza
t
i
on co
u
nter up
d
a
t
e
fo
r
f77 kern
e
l
s
commit
|
commitdiff
|
tree
2010-08-21
Erik
L
i
n
d
ahl
Fixed a
b
ug for
G
B OBC b
o
r
n radius calcul
a
tion in SSE2
.
.
.
commit
|
commitdiff
|
tree
2010-08-21
Erik Lind
a
hl
Fixe
d
an
u
ninitializ
e
d
variable bug
commit
|
commitdiff
|
tree
2010-08-21
Erik Lindahl
Fi
x
ed
a
mi
n
or bu
g
that
caused
F
o
r
tra
n
builds
to fail
.
.
.
commit
|
commitdiff
|
tree
2010-08-21
Er
i
k Lindahl
Dont
write nonpol
a
r surface energy to
energy
f
ile
i
f
.
.
.
commit
|
commitdiff
|
tree
2010-08-21
Erik Li
n
dahl
Fixed
so Fortran
ker
n
els work again
commit
|
commitdiff
|
tree
2010-08-21
E
r
ik Lin
d
ahl
Upgraded to latest autoc
o
nf platform
detectio
n
scripts
commit
|
commitdiff
|
tree
2010-08-21
Erik Li
n
dahl
Fi
x
ed a ch
a
in rule er
r
or
i
n
d
o
uble pr
e
c
.
SSE
2
GB for
.
.
.
commit
|
commitdiff
|
tree
2010-08-21
Er
i
k Lin
d
ahl
Merge branch 'r
e
l
e
ase-4-5-patche
s
'
o
f git
.
grom
a
cs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-08-21
Erik L
i
n
dahl
Double
p
recision
S
SE2 kerne
l
s
for
Generalized Born
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
Erik
L
i
ndahl
Updated GB SSE2 kernels, testing in progress now
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
E
rik Lindahl
Merge branc
h
're
l
ease-
4
-5-patche
s
'
of
g
it
.
gr
o
m
a
cs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
Erik Lind
a
hl
Modif
i
ed atom order in
Amber
nucleotide improper tors
i
o
ns
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
E
r
ik Lindahl
M
o
d
ified i
m
p
r
o
per torsion atom o
r
der i
n
Amber TRP residues
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
E
rik Lindahl
Merge
b
ranch 'release-4
-
5-p
a
t
che
s
' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
Erik
L
i
n
dah
l
Fix to write G
B
and surface energy
to s
e
parate terms
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
Erik Lind
a
hl
Merge branch 'relea
s
e-4-5-patches' of git
.
gromac
s
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
Erik Li
n
dah
l
Enabled double precision all-
v
s-
a
l
l kernels
.
Te
s
ted
.
.
.
commit
|
commitdiff
|
tree
2010-08-18
Erik Lind
a
hl
Fixed
s
i
m
ple
t
y
po in last commit
commit
|
commitdiff
|
tree
2010-08-18
Er
i
k
L
i
n
d
ahl
Fixed
p
revious
n
asm-s
e
gv bug for intel-syntax SSE
i
n
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
Eri
k
Lindahl
Fixed 64-bit
b
u
g i
n
SSE ass
e
mbly (only
v
i
s
ible
w
ith
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
Erik Lindahl
Worked around an interna
l
compiler error for MSVC when
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
Erik
L
i
ndahl
Merge b
r
anch
'release-4-5-patch
e
s' of g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
E
r
ik L
i
n
d
ahl
Depr
e
cat
e
d -i
n
s optio
n
to g_hbond
since nob
o
dy seem
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
Erik Lin
d
ahl
Copied all-vs-all
c
hange from x86-6
4
t
o ia
3
2 kern
e
ls too
commit
|
commitdiff
|
tree
2010-08-17
Erik Lindahl
Merge br
a
n
c
h 'rel
e
a
s
e-4-5-patche
s
' of gi
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-17
Erik Lindah
l
Fixed
potentia
l
e
rror in coulomb ener
g
y, and maybe
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik Lindahl
M
erge branch 'release-4-
5
-patches'
of
g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik Lind
a
hl
Adde
d
d
oub
l
e precision SSE2 gen
e
ralized born kernels
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik Lin
d
ahl
Added ia32 all-vs-all kerne
l
s
commit
|
commitdiff
|
tree
2010-08-12
E
r
ik Linda
h
l
Updat
e
d autoconf to w
o
rk with renamed SSE2 x86-6
4
asm
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
E
rik Lindahl
R
e
named SSE2 x86-64 a
s
m tes
t
fi
l
e to be consistent
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik
Lindahl
Fixed typ
o
to detect
b
o
t
h x86_64
-
>i386 and i3
8
6->x86_64
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Er
i
k Linda
h
l
M
e
rge branch 'release-4-
5
-patch
e
s'
of gi
t
.
gromacs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik Lindahl
Fixed a naming er
r
o
r
intr
o
duced y
e
sterday in 3
2
bit
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
E
r
i
k Lindah
l
Fixed c
o
m
piler e
r
rors fo
r
MSVC i
n
line int
r
insics
and
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik Lindahl
Fixed ch
e
c
k
point problem in 32 bits
.
We should a
l
ways
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
E
r
ik Lindahl
Remov
e
d extra
T
ER rec
o
rds
after chain
s
we think are
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik Lindahl
Merg
e
b
ranch 'r
e
lease-4-5-pat
c
h
es' of gi
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-12
Erik L
i
ndahl
Fixed
SSE kernels
i
n double
p
recision
f
or Cmake,
w
orking
.
.
.
commit
|
commitdiff
|
tree
2010-08-11
Erik Lindah
l
Merge
b
ra
n
ch 'rel
e
ase-4-5-p
a
t
c
he
s
' of
g
i
t
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-08-11
Erik Li
n
dahl
Cmake and Nas
m
sup
p
ort for w
i
n
d
ows
commit
|
commitdiff
|
tree
2010-08-10
E
r
ik Lindah
l
Move
d
four
more
SSE
a
ssembly f
i
l
es t
o
a
v
oid dou
b
le
.
.
.
commit
|
commitdiff
|
tree
2010-08-10
Eri
k
Lindahl
Merge b
r
anch 'r
e
lease-4-5-patches' of git
.
gromacs
.
org
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.
.
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2010-08-10
Erik Lindahl
Chang
e
s to ma
k
e Cm
a
k
e wor
k
unde
r
w
i
ndows again
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