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Combine CUDA Leap-Frog, LINCS and SETTLE. I.
2019-06-18
Ar
t
em Zhmurov
Combi
n
e CUDA
Leap-Frog
,
LI
N
CS and SETTLE
.
I
.
commit
|
commitdiff
|
tree
2019-06-18
Artem Zhmuro
v
Bug fix
:
C
ons
t
rai
n
ts test
s
are n
o
t instant
i
at
e
d with
.
.
.
commit
|
commitdiff
|
tree
2019-05-24
A
r
tem Zhmur
o
v
Clar
i
fy wh
i
ch
o
f the mai
n
e
nergy t
e
rms are printed
.
commit
|
commitdiff
|
tree
2019-05-24
A
rtem Zh
m
u
r
o
v
C
l
arif
y
the Energy
O
ut
p
ut III
commit
|
commitdiff
|
tree
2019-05-24
Artem Zhmurov
Clarify the
E
nergyOutput II
commit
|
commitdiff
|
tree
2019-05-13
Ar
t
em Zhmurov
Cla
r
ify t
h
e EnergyOu
t
put I
commit
|
commitdiff
|
tree
2019-05-12
A
r
t
em
Z
h
murov
CUD
A
version of L
e
a
p-Frog inte
g
rator with ba
s
ic tes
t
s
commit
|
commitdiff
|
tree
2019-05-06
Artem
Zhmuro
v
Fi
x
ing minor memory issues in MDLib
commit
|
commitdiff
|
tree
2019-05-02
A
rte
m
Zhm
u
rov
Use test
w
ith parameters
f
or EnergyOutput
commit
|
commitdiff
|
tree
2019-04-30
A
r
t
em Zhmurov
CU
D
A
version of
SETTLE algo
r
i
t
hm with basic tests
commit
|
commitdiff
|
tree
2019-04-29
Ar
t
em Zhmurov
Fi
x
for the CUDA
version
of LINCS
commit
|
commitdiff
|
tree
2019-04-28
Artem Zhmu
r
ov
CUDA version of LINCS constraints
.
commit
|
commitdiff
|
tree
2019-04-25
Artem
Zhmur
o
v
Im
p
rovements for energy o
u
tput
t
est
.
commit
|
commitdiff
|
tree
2019-04-16
Artem Zhmurov
Fix for th
e
memory acce
s
s error in constraints
t
e
st
.
commit
|
commitdiff
|
tree
2019-04-04
Artem Zhmurov
Remove i
s
PressureCouplingStep(
.
.
.
)
commit
|
commitdiff
|
tree
2019-04-04
Artem Zhmur
o
v
Remove isTemperatur
e
CouplingSt
e
p
(
.
.
.
)
commit
|
commitdiff
|
tree
2019-03-28
Ar
t
em Zhmurov
GPU naming c
o
nventio
n
s
commit
|
commitdiff
|
tree
2019-03-25
A
r
tem Zhm
u
rov
Re
m
ov
e
u
n
used hea
d
ers
commit
|
commitdiff
|
tree
2019-03-13
Artem Zhmu
r
ov
Basic routines to handle periodic b
o
u
n
dar
y
.
commit
|
commitdiff
|
tree
2019-02-21
Artem Zhmurov
Test fo
r
LINCS
a
n
d SHAKE constraints
.
commit
|
commitdiff
|
tree
2019-02-19
Artem
Z
hmu
r
ov
PBC setup
for GPU is moved i
n
to
p
bcut
i
ls
.
commit
|
commitdiff
|
tree
2019-02-13
Artem Zhmurov
I
g
nore Visual St
u
dio Code m
e
t
ad
a
ta
.
commit
|
commitdiff
|
tree
2018-12-27
A
r
t
e
m Zhmurov
The tests
f
o
r LI
N
CS and SHAKE c
o
n
straints
.
commit
|
commitdiff
|
tree