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Add initialization to dvdlambda in bonded forces tests
2017-02-09
Al
e
ksei
I
up
i
nov
Add
initializati
o
n
t
o dvdlambda in bonded
f
orces tes
t
s
commit
|
commitdiff
|
tree
2017-02-09
Aleks
e
i Iu
p
inov
Fix typo (Dihedar
l
-> Dihedra
l
)
commit
|
commitdiff
|
tree
2017-02-08
Aleksei
Iupi
n
ov
PME force
g
a
t
hering tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
Fix invalid triclinic
box
i
n the PME test
d
a
ta
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iu
p
inov
P
M
E sp
l
ine
compu
t
ation and
charge spreading tests
commit
|
commitdiff
|
tree
2017-01-24
Alek
s
ei Iupinov
Add cons
t
q
u
alifier to some P
M
E spread
a
rguments
commit
|
commitdiff
|
tree
2017-01-19
Al
e
ksei Iupi
n
ov
Simplify gmx_count_gp
u
_dev_unique()
commit
|
commitdiff
|
tree
2017-01-19
Al
e
ksei Iupinov
PME B
-
Spline
m
oduli
computat
i
on unit test
commit
|
commitdiff
|
tree
2017-01-05
Aleksei Iupinov
Fix compilation
w
ith CMAKE_C
X
X_F
L
AGS="-Wall -Werror
"
commit
|
commitdiff
|
tree
2016-12-22
Alekse
i
Iupinov
Remove unuse
d
mem
b
e
r
thre
a
d_one
from th
e
PME sp
l
ine
.
.
.
commit
|
commitdiff
|
tree
2016-12-05
Aleksei Iupinov
Stop
i
ncludi
n
g p
a
rallel_3dff
t
.
h i
n
headers
commit
|
commitdiff
|
tree
2016-12-01
A
l
ekse
i
Iupinov
Move
G
P
U ass
i
gnme
n
t functions
i
nt
o
a
s
epa
r
ate fi
l
e
commit
|
commitdiff
|
tree
2016-11-21
Aleks
e
i Iupinov
Move
h
a
r
d
c
oded PME gri
d
indexi
n
g
con
s
tants into heade
r
commit
|
commitdiff
|
tree
2016-11-01
A
leksei Iupinov
Remove imatrix type and
r
el
a
ted
unus
e
d/erro
n
eous cod
e
commit
|
commitdiff
|
tree
2016-10-24
Ale
k
s
e
i
I
upin
o
v
Treat
C
UDA
fil
e
s a
s
C
++
duri
n
g cp
p
check
commit
|
commitdiff
|
tree
2016-10-10
Aleksei Iupinov
Fix trivial PME
m
e
mory
l
eaks
commit
|
commitdiff
|
tree
2016-09-15
Aleksei Iupinov
M
o
ve the PME Ewald
c
oef
f
i
c
ients to t
h
e
PME structure
commit
|
commitdiff
|
tree
2016-09-10
Aleksei Iu
p
inov
F
ix PM
E
data destructor not being called
commit
|
commitdiff
|
tree