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Conditional tweak in the nonbonded GPU kernels
2017-03-17
A
l
eks
e
i
Iupin
o
v
F
ix d
e
referencing
n
ullptr in PME solve
w
o
rk
d
estruct
o
r
commit
|
commitdiff
|
tree
2017-03-03
Aleksei
I
up
i
nov
Re
m
ove
o
u
tdated CUDA version check
commit
|
commitdiff
|
tree
2017-02-21
A
l
e
ksei Iupinov
Remo
v
e
unused functi
o
n
cu_
s
ynchstream_atdat()
commit
|
commitdiff
|
tree
2017-02-09
A
l
e
k
sei Iupinov
Add initialization to d
v
dlambda
in bonded f
o
rces te
s
ts
commit
|
commitdiff
|
tree
2017-02-09
A
l
eksei Iupinov
Fix typo
(Dihedarl
-> Dihedral)
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
PME forc
e
gathering te
s
ts
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupi
n
ov
Fi
x
inval
i
d tric
l
inic
box in
the
P
ME test da
t
a
commit
|
commitdiff
|
tree
2017-01-24
Alekse
i
Iupinov
PME spline com
p
utatio
n
and charge spreading tests
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
Add con
s
t quali
f
ier to some PME
spread arg
u
m
e
nts
commit
|
commitdiff
|
tree
2017-01-19
A
l
ekse
i
Iupi
n
ov
Si
m
plify
gmx_co
u
nt_gpu_dev_unique(
)
commit
|
commitdiff
|
tree
2017-01-19
A
l
eksei Iup
i
nov
PME B-S
p
lin
e
modul
i
c
omputation unit test
commit
|
commitdiff
|
tree
2017-01-05
Alekse
i
I
u
pinov
Fix compilation w
i
th CM
A
KE_
C
XX_FLAGS="-Wal
l
-
Werror"
commit
|
commitdiff
|
tree
2016-12-22
Aleksei
I
u
p
inov
Re
m
ove unuse
d
me
m
ber thread_one from
t
he PME spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Aleksei Iupino
v
St
o
p inclu
d
ing p
a
r
alle
l
_3dff
t
.
h in
headers
commit
|
commitdiff
|
tree
2016-12-01
Aleksei Iupinov
M
ove GPU a
s
signment f
u
nctions into
a
separate
f
ile
commit
|
commitdiff
|
tree
2016-11-21
Aleksei Iupinov
Move
har
d
co
d
ed PME gri
d
indexing constan
t
s
i
n
t
o header
commit
|
commitdiff
|
tree
2016-11-01
A
le
k
sei Iupinov
R
e
move imatrix type and related unused/erroneous code
commit
|
commitdiff
|
tree
2016-10-24
Aleksei Iupin
o
v
Treat CUDA fil
e
s
a
s C++ during cppcheck
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix tr
i
vi
a
l PME memory leaks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei Iupinov
Move the
P
ME Ewald coefficien
t
s
to t
h
e
PME structure
commit
|
commitdiff
|
tree
2016-09-10
Alekse
i
Iupi
n
o
v
Fix PME
d
ata destructor not being called
commit
|
commitdiff
|
tree