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Updates to math/vec.h
2019-06-18
Artem Zhmurov
C
ombin
e
CUDA Leap-Frog, LINC
S
and SETTLE
.
I
.
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tree
2019-06-18
Ar
t
e
m
Zh
m
urov
Bug
f
i
x
: C
o
n
s
t
raints
tests ar
e
not instantiated with
.
.
.
commit
|
commitdiff
|
tree
2019-05-24
Artem Zhmuro
v
Clarify
w
hich of the
mai
n
en
e
rgy t
e
rms
are printed
.
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|
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tree
2019-05-24
Art
e
m
Zhmurov
Cl
a
rify the EnergyO
u
tput III
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tree
2019-05-24
A
r
t
e
m Zhm
u
r
ov
Cl
a
rif
y
the Energ
y
Output II
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tree
2019-05-13
A
r
tem Zhmuro
v
Clarify the EnergyOutput
I
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tree
2019-05-12
Art
e
m Zhmuro
v
CUDA version of Leap-Fr
o
g integrator with basic tests
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tree
2019-05-06
A
rtem Zhm
u
rov
F
i
xing minor memo
r
y issue
s
in
M
DLib
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tree
2019-05-02
Artem Zhm
u
rov
U
s
e
t
e
s
t
with paramet
e
rs
for E
n
erg
y
Output
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tree
2019-04-30
Artem Zhm
u
rov
C
UDA version of SETTLE algorithm with basic
tests
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|
commitdiff
|
tree
2019-04-29
Art
e
m Zhmurov
F
ix for the CUDA v
e
rsion of LINCS
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|
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tree
2019-04-28
Artem Zhmurov
CUDA ve
r
sion
of LIN
C
S constraints
.
commit
|
commitdiff
|
tree
2019-04-25
Ar
t
em Z
h
murov
Improvem
e
nts for energy o
u
tput
te
s
t
.
commit
|
commitdiff
|
tree
2019-04-16
A
r
tem Z
h
mu
r
ov
Fix
f
or
the memory acce
s
s
error in constr
a
ints test
.
commit
|
commitdiff
|
tree
2019-04-04
Ar
t
em Zhmurov
Remove isPressureCouplin
g
S
t
ep(
.
.
.
)
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2019-04-04
Artem Z
h
m
u
r
o
v
Remove isT
e
mperatureCoupl
i
ngStep(
.
.
.
)
commit
|
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tree
2019-03-28
A
rt
e
m Zhmur
o
v
GPU n
a
ming
c
onventi
o
ns
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|
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|
tree
2019-03-25
Artem Zhmurov
Remov
e
unus
e
d
h
eaders
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tree
2019-03-13
Artem Zhmurov
B
a
s
ic
r
outines to handle periodic boundary
.
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2019-02-21
Artem Z
h
m
uro
v
T
e
s
t for LINCS a
n
d
S
HAK
E
constraint
s
.
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|
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|
tree
2019-02-19
Artem Z
h
m
urov
PBC
setup for GPU is moved into pbcut
i
ls
.
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|
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|
tree
2019-02-13
A
r
t
e
m Zhmurov
Ig
n
o
r
e Visual Studio Code metadata
.
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|
commitdiff
|
tree
2018-12-27
Artem Zhmu
r
ov
T
h
e tests fo
r
LINCS
a
nd S
H
AKE c
o
ns
t
r
aints
.
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|
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