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Merge branch 'master' of git.gromacs.org:gromacs
2010-05-28
E
rik Marklu
n
d
Merge branch 'maste
r
' of gi
t
.
g
romacs
.
or
g
:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-28
Erik Mar
k
l
un
d
Para
l
lel
v
s
.
sequentiual c
o
de: I get binary identi
c
al
.
.
.
commit
|
commitdiff
|
tree
2010-05-27
Erik Ma
r
klund
Compil
e
s and runs with parallel gr
i
d loop
.
The previous
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-26
Erik Mark
l
und
Fixed warning
a
bout
t
his const
q
ualifyer
commit
|
commitdiff
|
tree
2010-05-26
Erik Marklund
Stil
l
testing
commit
|
commitdiff
|
tree
2010-05-26
Erik Marklu
n
d
Merge
b
r
anch 'master' of git
.
gr
o
m
acs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-25
Erik Mark
l
und
Now it compiles
,
but needs
e
xte
n
s
iv
e
test
i
ng
.
Tha
t
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-25
Erik Marklund
More implementat
i
on
of fr
a
me
loop
p
ar
a
llelism
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-25
Erik Marklund
Begi
n
to
i
m
plemen
t
a paral
l
el grid loop
based o
n
my
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-20
Erik Ma
r
klund
Sto
p
ped any a
t
t
e
mp
t
s to do rev
.
gem
.
comb
.
an
a
lysis
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-20
Erik Marklu
n
d
Fixed typo th
a
t crashed compi
l
ation
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-18
E
r
ik Marklund
Imple
m
ented do_geminate
commit
|
commitdiff
|
tree
2010-05-18
Er
i
k Marklun
d
T
u
rned off op
e
nMP by default
.
This is how it shoul
d
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-18
Eri
k
Mar
k
lu
n
d
Merge br
a
n
ch 'master' into hbond
commit
|
commitdiff
|
tree
2010-05-18
Erik
Marklu
n
d
Sligh
t
adj
u
stments to do_hbac()
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-18
E
r
ik Marklu
n
d
A
d
ded
-b
a
ltime option
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-12
Erik Mark
l
und
R
e
m
o
ved re
f
erences to none
x
istent fil
e
s whic
h
c
aused
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-12
Er
i
k Marklun
d
Fi
x
e
d l
i
nker
p
roblems with/wi
t
hout gsl
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
Imple
m
ented ca
l
culati
o
n of ballistic
c
o
m
ponent in hbond
.
.
.
commit
|
commitdiff
|
tree
2010-05-11
Erik
Marklu
n
d
Me
r
ge b
r
anch 'm
a
s
t
er' of git@g
i
t
.
grom
a
cs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
Te
s
ted g_hbo
n
d with
a
nd witho
u
t O
p
en
M
p
.
All seems fine
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik
M
a
rkl
u
nd
Pret
t
yfi
e
d outpu
t
slig
h
t
ly and
m
ade this
w
arning reg
a
r
d
ing
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
E
r
ik
Marklund
Merge branch 'maste
r
' into
hbond
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
Merge br
a
nch
'mas
t
er' of git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-11
Erik Mar
k
lund
Merg
e
bran
c
h
'master'
into hbond
commit
|
commitdiff
|
tree
2010-05-11
E
r
ik M
a
rklu
n
d
Merge branch '
m
aster'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-11
E
rik Mark
l
u
n
d
changed meth
a
nol
.
gro to methanol216
.
gro
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
E
ri
k
Ma
r
klun
d
Chang
e
d preprocessor con
d
itionals controll
i
ng OpenMP
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklu
n
d
Helper fu
n
c
t
ions
a
nd dat
a
strucures used
in
g
mx_h
b
ond
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik Mark
l
und
Me
r
ged and test-c
o
mpiled
ver
y
much updated gmx_hb
o
n
d
.
c
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-10
Erik Marklu
n
d
A
d
ded geminate
.
[hc]
Erik Marklund
commit
|
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|
tree
2010-05-10
E
rik Marklund
M
e
rged in
t
h
e
code for
r
ev
e
r
s
ible gem
i
nate r
e
comb
i
nation
.
.
.
Erik Marklund
commit
|
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