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minor fixes in ditribution files
2010-05-28
Eri
k
Marklund
Merge
b
r
anch 'master' of git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-28
E
r
ik Marklund
Paralle
l
vs
.
seq
u
ent
i
u
al code: I get binary identic
a
l
.
.
.
commit
|
commitdiff
|
tree
2010-05-27
Erik M
a
rklund
Com
p
iles
an
d
runs
with paralle
l
grid
l
oop
.
The previ
o
us
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-26
Eri
k
M
ar
k
l
und
Fixed warning abo
u
t this const qualifyer
commit
|
commitdiff
|
tree
2010-05-26
Erik Markl
u
n
d
Still tes
t
ing
commit
|
commitdiff
|
tree
2010-05-26
E
rik Marklund
Merge branch 'mas
t
er' of
git
.
gromacs
.
or
g
:g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-05-25
Erik Mar
k
lund
Now it
compi
l
es, bu
t
needs extensive testing
.
That
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-25
Erik Marklund
M
o
re i
m
p
l
em
e
ntation of frame loop par
a
llelism
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-25
Erik Marklund
Begin
t
o implem
e
nt a
parallel grid loop based on my
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-20
E
rik Mar
k
lund
Stopped an
y
a
ttempt
s
t
o do
r
e
v
.
gem
.
comb
.
ana
l
ysis
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-20
Erik Marklund
Fixed typo t
h
at
c
ra
s
h
ed
compilat
i
on
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-18
Erik Marklund
Implemented do_gem
i
nate
commit
|
commitdiff
|
tree
2010-05-18
E
r
ik Ma
r
kl
u
nd
Turne
d
off openMP
by default
.
This is how it should
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-18
E
ri
k
Marklun
d
Me
r
ge branch
'm
a
ster' into hbond
commit
|
commitdiff
|
tree
2010-05-18
E
r
ik Marklu
n
d
S
l
ight adjustments to do_hbac()
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-18
Erik
Ma
r
kl
u
n
d
Added -balti
m
e
o
pt
i
on
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-12
Erik Markl
u
nd
Removed references to nonexis
t
ent f
i
l
e
s which c
a
used
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-12
E
r
ik M
a
rklun
d
Fix
e
d l
i
n
k
er problems with/without gs
l
commit
|
commitdiff
|
tree
2010-05-11
E
r
ik
Marklund
I
mplemente
d
c
alculat
i
o
n
of balli
s
tic com
p
onent in hbond
.
.
.
commit
|
commitdiff
|
tree
2010-05-11
Erik Mar
k
l
u
nd
Merge
b
ranc
h
'
m
aster' of git@gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-11
E
r
ik Ma
r
k
l
und
Tes
t
e
d
g
_
h
b
ond with a
n
d without OpenMp
.
All
seems fin
e
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
P
rettyfied
o
u
t
put sli
g
h
t
ly
a
nd made
this w
a
rning regarding
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik Mar
k
lun
d
Merge branch 'master' into hbond
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
Merge
b
ranch 'master' of gi
t
@git
.
gro
m
acs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-05-11
E
r
i
k Marklund
Merge branch 'master
'
into hbond
commit
|
commitdiff
|
tree
2010-05-11
Er
i
k Marklu
n
d
Merge branch 'mast
e
r' of g
i
t@git
.
gromacs
.
org
:
gr
o
macs
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
ch
a
nge
d
methan
o
l
.
gro to meth
a
nol216
.
gro
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
Changed prepr
o
cessor co
n
diti
o
n
a
l
s cont
r
olling OpenMP
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik Marklund
Helpe
r
function
s
and data stru
c
ures us
e
d
in gmx
_
h
bond
.
.
.
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-11
Erik M
a
r
k
lund
Merged and test-compi
l
e
d
very
m
uch u
p
dated gmx
_
hbon
d
.
c
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-10
Erik M
a
rklund
Added geminat
e
.
[hc]
Erik Marklund
commit
|
commitdiff
|
tree
2010-05-10
Erik Marklund
M
e
r
ged i
n
t
he c
o
de f
o
r reversible geminate
r
ecombina
t
ion
.
.
.
Erik Marklund
commit
|
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|
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