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Fix dereferencing nullptr in PME solve work destructor
2017-03-17
Aleksei
I
upinov
Fix derefe
r
encing nullptr i
n
PME solve work destructor
commit
|
commitdiff
|
tree
2017-03-03
Aleksei Iupinov
Remove outd
a
t
e
d CUDA ver
s
ion
c
heck
commit
|
commitdiff
|
tree
2017-02-21
Alek
s
ei Iupinov
Remo
v
e unus
e
d func
t
i
o
n
cu_syn
c
hstr
e
am_atda
t
()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupinov
Add initial
i
z
a
tion to
dvdl
a
mbda
i
n bonded forces tests
commit
|
commitdiff
|
tree
2017-02-09
Aleksei Iupinov
Fix ty
p
o (Dihedarl ->
Dihedral)
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
PM
E
f
orce
gat
h
e
r
ing tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei
Iupinov
Fix invali
d
tri
c
linic box in the PME test data
commit
|
commitdiff
|
tree
2017-01-24
A
le
k
sei Iup
i
no
v
PM
E
spline computation
and charge spreading test
s
commit
|
commitdiff
|
tree
2017-01-24
Alek
s
ei I
u
p
inov
Add const qualifie
r
t
o some PME spread arg
u
ments
commit
|
commitdiff
|
tree
2017-01-19
A
l
eksei Iupinov
Simpl
i
f
y gmx_c
o
unt_gpu_dev_un
i
qu
e
()
commit
|
commitdiff
|
tree
2017-01-19
Aleksei
Iupinov
PME B-Spline moduli computation unit
t
est
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupinov
F
i
x c
o
mpil
a
tion with CMAKE_CX
X
_FLAGS="-Wall -Werror
"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei Iupin
o
v
R
e
move
un
u
s
e
d member thr
e
ad_one
fro
m
the
PME spl
i
ne
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Al
e
ksei Iupinov
S
t
op
i
nc
l
ud
i
ng parallel_3dfft
.
h
in heade
r
s
commit
|
commitdiff
|
tree
2016-12-01
Aleksei Iupinov
Move GPU
assignm
e
nt fu
n
ctions
into a sepa
r
ate fi
l
e
commit
|
commitdiff
|
tree
2016-11-21
Aleks
e
i
I
u
pin
o
v
Move
h
a
rdcoded PME grid inde
x
ing constant
s
into header
commit
|
commitdiff
|
tree
2016-11-01
Aleksei Iup
i
nov
Remove imatrix typ
e
and r
e
la
t
ed
u
n
used/erroneous cod
e
commit
|
commitdiff
|
tree
2016-10-24
Aleksei Iupinov
Trea
t
CU
D
A fi
l
e
s
a
s C
+
+ during cppcheck
commit
|
commitdiff
|
tree
2016-10-10
Alekse
i
Iupinov
Fix trivial PME memory leak
s
commit
|
commitdiff
|
tree
2016-09-15
A
l
e
ksei Iupinov
Move
t
he PME Ewald c
o
efficients t
o
the PME structure
commit
|
commitdiff
|
tree
2016-09-10
Aleksei
Iupinov
Fix PME
data destr
u
ctor n
o
t being
calle
d
commit
|
commitdiff
|
tree