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Fixed bug in gmx disres indexing arrays.
2017-06-30
Aleksei Iupinov
Remo
v
e
ou
t
dated c
m
ake nvcc logic
commit
|
commitdiff
|
tree
2017-06-12
A
l
eksei Iupinov
Store a physic
a
l n
o
de
c
o
m
mu
n
icator in t_commrec
commit
|
commitdiff
|
tree
2017-03-17
Ale
k
sei Iupi
n
ov
Fix
dereferenci
n
g
n
ullpt
r
in PME solve work destructor
commit
|
commitdiff
|
tree
2017-03-03
A
leksei Iupinov
Re
m
ove
ou
t
dated CUDA version check
commit
|
commitdiff
|
tree
2017-02-21
Aleksei
I
u
p
inov
Remove
u
nused
f
u
nction cu_synch
s
tream_
a
tdat()
commit
|
commitdiff
|
tree
2017-02-09
Aleksei
Iup
i
nov
Ad
d
i
ni
t
iali
z
a
t
ion to d
v
dlamb
d
a
i
n b
o
n
d
ed forces tests
commit
|
commitdiff
|
tree
2017-02-09
Al
e
k
s
ei
Iupinov
Fi
x
typo (Dihedarl -> Dihedr
a
l)
commit
|
commitdiff
|
tree
2017-02-08
A
leksei Iu
p
in
o
v
PME
f
orce
g
ather
i
ng tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupin
o
v
Fix invalid triclini
c
box
i
n the PME test data
commit
|
commitdiff
|
tree
2017-01-24
A
leksei Iupinov
PM
E
spline com
p
utation
a
nd charge spreadi
n
g test
s
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
Add con
s
t
q
ual
i
fier to some PME spr
e
ad arguments
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupinov
Simplify
g
mx_count
_
g
pu_de
v
_unique()
commit
|
commitdiff
|
tree
2017-01-19
Aleksei
I
up
i
nov
PME B-Spl
i
n
e moduli comp
u
tatio
n
un
i
t test
commit
|
commitdiff
|
tree
2017-01-05
Aleksei I
u
pinov
Fi
x
compilation with CMAKE_CXX_
F
LAGS="-
W
a
ll -Werror"
commit
|
commitdiff
|
tree
2016-12-22
Aleks
e
i Iupinov
R
e
move un
u
s
ed
m
ember th
r
e
a
d_o
n
e from
t
he
PME spline
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Alek
s
e
i Iupinov
Stop
i
nc
l
u
d
ing parallel_3dfft
.
h
in headers
commit
|
commitdiff
|
tree
2016-12-01
Aleksei Iupi
n
o
v
Move GPU assign
m
ent functions
into
a
separate
f
ile
commit
|
commitdiff
|
tree
2016-11-21
Aleksei
I
upin
o
v
Move hardcoded PME grid indexin
g
co
n
st
a
nts int
o
head
e
r
commit
|
commitdiff
|
tree
2016-11-01
Al
e
ksei
Iupin
o
v
Remove imatrix typ
e
and related unused/erroneo
u
s cod
e
commit
|
commitdiff
|
tree
2016-10-24
A
leksei Iupinov
Treat CUDA files as C++
during
cppcheck
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix trivial PME m
e
mory leaks
commit
|
commitdiff
|
tree
2016-09-15
A
l
eksei Iupinov
M
ove the PME
Ewal
d
coefficients to the PME str
u
cture
commit
|
commitdiff
|
tree
2016-09-10
Aleksei Iupin
o
v
Fix PME da
t
a d
e
s
t
ructor not being called
commit
|
commitdiff
|
tree
