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Fix for the CUDA version of LINCS
2019-04-29
Artem Zhmu
r
ov
F
ix for the
CUDA versi
o
n of LINCS
commit
|
commitdiff
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tree
2019-04-28
Arte
m
Zhmurov
CUDA vers
i
o
n
of LINCS constrai
n
ts
.
commit
|
commitdiff
|
tree
2019-04-25
Artem Zhmu
r
ov
Improveme
n
ts
f
or e
n
e
r
g
y
output test
.
commit
|
commitdiff
|
tree
2019-04-16
Artem Zh
m
u
rov
Fix for the
m
em
o
ry acce
s
s erro
r
in constraints test
.
commit
|
commitdiff
|
tree
2019-04-04
A
rtem
Z
hmurov
Remo
v
e isPres
s
ureC
o
upli
n
gSt
e
p(
.
.
.
)
commit
|
commitdiff
|
tree
2019-04-04
Artem Zhm
u
rov
R
e
move isT
e
mperatureCouplin
g
Step(
.
.
.
)
commit
|
commitdiff
|
tree
2019-03-28
A
r
tem Zhmurov
G
P
U nam
i
ng convent
i
ons
commit
|
commitdiff
|
tree
2019-03-25
A
r
tem Zhmurov
Remove unused h
e
aders
commit
|
commitdiff
|
tree
2019-03-13
Artem Zhmurov
Basic routi
n
es to han
d
le period
i
c bou
n
dary
.
commit
|
commitdiff
|
tree
2019-02-21
Art
e
m Zhmur
o
v
Tes
t
for
L
I
N
C
S and SHAKE constraints
.
commit
|
commitdiff
|
tree
2019-02-19
A
r
tem Z
h
mu
r
ov
PBC setup for GPU is mov
e
d
i
nto pbcu
t
ils
.
commit
|
commitdiff
|
tree
2019-02-13
Artem Z
h
murov
Ignore Visual
Studio Code met
a
data
.
commit
|
commitdiff
|
tree
2018-12-27
Artem
Z
hmurov
The te
s
ts for L
I
NCS and SHAK
E
c
onstraint
s
.
commit
|
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|
tree