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Fix dereferencing nullptr in PME solve work destructor
2017-03-17
Alekse
i
Iupin
o
v
Fix deref
e
renci
n
g nullptr in PME so
l
ve work destru
c
tor
commit
|
commitdiff
|
tree
2017-03-03
Aleksei
I
upinov
Rem
o
ve ou
t
dated
CUDA version
c
h
e
c
k
commit
|
commitdiff
|
tree
2017-02-21
Ale
k
sei Iupino
v
Remove
unused function cu_synchstream_atda
t
()
commit
|
commitdiff
|
tree
2017-02-09
Al
e
ksei Iupi
n
ov
Add i
n
itial
i
zatio
n
to dv
d
l
ambda in bonded
force
s
test
s
commit
|
commitdiff
|
tree
2017-02-09
Aleksei
I
upi
n
ov
Fix typo (
D
ihedarl -> Dihe
d
ral)
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
PME force g
a
t
her
i
ng tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei
I
upinov
Fix invalid
tricl
i
n
i
c box in the PME
t
est data
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
P
M
E
s
pline computation and charge spread
i
ng t
e
s
t
s
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
A
d
d const qualifier to so
m
e PME sprea
d
arguments
commit
|
commitdiff
|
tree
2017-01-19
Alekse
i
Iupinov
Sim
p
lify gmx_
c
ount_gpu_de
v
_uniq
u
e
(
)
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupi
n
ov
PME B
-
S
p
line m
o
duli computation unit te
s
t
commit
|
commitdiff
|
tree
2017-01-05
Aleksei I
u
pinov
Fix comp
i
lation w
i
th
CMAKE_CXX_FLAGS="-Wall -Wer
r
or"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei I
u
pin
o
v
Re
m
ove unuse
d
member thread_on
e
from t
h
e PME
sp
l
i
ne
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Ale
k
sei
I
u
p
inov
Stop including parallel_
3
dfft
.
h in
headers
commit
|
commitdiff
|
tree
2016-12-01
Alek
s
ei Iupin
o
v
Move GP
U
assignment functions into a separ
a
te file
commit
|
commitdiff
|
tree
2016-11-21
Aleks
e
i Iupinov
Move hardcoded PME grid indexing constants
i
n
t
o header
commit
|
commitdiff
|
tree
2016-11-01
Aleksei Iupinov
Remove imatrix
t
ype
a
nd related unused/er
r
oneous
c
ode
commit
|
commitdiff
|
tree
2016-10-24
A
leksei Iu
p
inov
Tr
e
at
C
UDA files as C++ during cpp
c
h
e
ck
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix trivial PME me
m
ory le
a
ks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei I
u
pi
n
ov
M
o
ve the PME Ewald co
e
fficients to the P
M
E
structure
commit
|
commitdiff
|
tree
2016-09-10
Aleks
e
i
I
upinov
Fi
x
PME data
destructor not being call
e
d
commit
|
commitdiff
|
tree