repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Remove PImpl scaffolding from CUDA version of LINCS
2019-07-05
Art
e
m Zhmurov
Remov
e
PImpl sca
f
folding from C
U
DA version o
f
LI
N
CS
commit
|
commitdiff
|
tree
2019-07-04
Artem Z
h
murov
Use reallocateDeviceB
u
ffer(
.
.
.
) i
n
CUDA vers
i
on of
.
.
.
commit
|
commitdiff
|
tree
2019-07-03
Arte
m
Zhmurov
Earl
y
exit for CUDA versions of SETTL
E
and LINCS
commit
|
commitdiff
|
tree
2019-07-03
Ar
t
em Zhmu
r
o
v
Memor
y
management fixes in
CU
D
A version of LINCS
commit
|
commitdiff
|
tree
2019-06-28
Szilár
d
Páll
Separate
C
P
U NB kernel
a
n
d bu
f
fer
c
l
earing
subcoun
t
e
r
s
commit
|
commitdiff
|
tree
2019-06-28
M
ag
n
us Lundbor
g
Fuse
d
GPU bo
n
ded kern
e
ls
commit
|
commitdiff
|
tree
2019-06-18
Art
e
m Zhmurov
Combine CUDA Leap-Frog, LINCS and SETTLE
.
I
.
commit
|
commitdiff
|
tree
2019-05-24
Art
e
m Zhmurov
C
larify
w
hic
h
of the mai
n
energy
terms are print
e
d
.
commit
|
commitdiff
|
tree
2019-05-13
Pa
u
l
B
auer
Fix math formatting in
r
eference manua
l
commit
|
commitdiff
|
tree
2019-05-12
Ar
t
em Zhmu
r
o
v
CUDA version o
f
Leap-F
r
og integr
a
tor with
basic tests
commit
|
commitdiff
|
tree
2019-05-06
Mar
k
Abraham
Im
p
rove how
mdrun -n
o
append na
m
es output files
commit
|
commitdiff
|
tree
2019-05-02
Art
e
m Zhmurov
Use te
s
t
w
ith parameters for EnergyOu
t
put
commit
|
commitdiff
|
tree
2019-04-30
A
r
tem Zhmurov
CU
D
A ve
r
sion
of SETTLE algorithm wit
h
b
a
sic tests
commit
|
commitdiff
|
tree
2019-04-29
Arte
m
Z
h
m
u
rov
F
ix for
the CUDA version o
f
L
I
NCS
commit
|
commitdiff
|
tree
2019-04-28
Artem
Z
h
m
urov
CUDA versi
o
n
of LINCS constraints
.
commit
|
commitdiff
|
tree
2019-04-04
Carsten Kutzne
r
E
a
rly ex
i
t from md
r
un if grou
p
scheme is detected in
.
.
.
commit
|
commitdiff
|
tree
2019-04-04
Arte
m
Z
h
murov
R
e
move isPressureCouplingStep(
.
.
.
)
commit
|
commitdiff
|
tree
2019-04-04
Artem Zhmurov
Remove isTe
m
pe
r
a
t
ureCouplingStep(
.
.
.
)
commit
|
commitdiff
|
tree
2019-03-13
Artem
Z
hmurov
Basic routine
s
to handle p
e
riodic boundary
.
commit
|
commitdiff
|
tree
2019-02-19
Artem
Zhmurov
P
B
C setup for GPU is mo
v
ed i
n
to pbc
u
tils
.
commit
|
commitdiff
|
tree
2019-02-13
Artem Zhmurov
Igno
r
e Visual Studio C
o
de
m
etadat
a
.
commit
|
commitdiff
|
tree