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Moved pull initialization back to mdrunner
2016-02-16
A
l
exey
Shvetsov
Same fix for Xe
o
nP
h
i
(d
o
ub
l
e precision)
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2016-02-16
Alexey Shvetsov
Make GROM
A
C
S compile again on Xeon
P
hi
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2015-12-26
Alexey Shvetsov
Make
m
oleculet
y
pe case
sensi
t
ive
commit
|
commitdiff
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tree
2015-09-15
Alexey Sh
v
e
ts
o
v
programs/vi
e
w: mov
e
from C to
C
++ head
e
rs
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2015-07-16
A
le
x
ey Shvetsov
Fix build failure in
v
i
e
w/filter
.
cpp
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2015-06-26
Al
e
xey Shv
e
tsov
Fix r
e
cent compilat
i
o
n
issue in pullcode
commit
|
commitdiff
|
tree
2015-05-16
Ale
x
ey Shvets
o
v
M
ake bond
-
ato
m
types
case sens
i
tive
commit
|
commitdiff
|
tree
2014-05-09
Alexey Shvet
s
o
v
Fix
c
lang
3
.
5 warnings regarding *a
b
s
*
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2014-04-17
A
lexey Shvetso
v
M
o
v
e sf
a
cto
r
.
[hc
]
to gmxana
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2014-02-26
Alexey Shve
t
sov
F
i
x -Wmaybe-uninitialized warnings in some
fil
e
s
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-11-30
Alexey Shvetsov
Fix -Wstrict-o
v
erflow in dom
d
ec
.
c
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-10-30
Alexey S
h
ve
t
sov
gromacs cpp: clean up -Wunused-
p
arameter warnin
g
s
commit
|
commitdiff
|
tree
2013-10-30
Alexey Shv
e
tsov
nbnxn_kernels: Clean up -Wunus
e
d
-p
a
ramete
r
warn
i
ng
s
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-10-29
Ale
x
ey Shvet
s
ov
mdl
i
b: Clean up -Wun
u
sed
-
paramet
e
r w
a
rnings
commit
|
commitdiff
|
tree
2013-09-26
Alexey Shvetsov
g_tune_pm
e
: Cle
a
n up -Wunus
e
d
-paramete
r
warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
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commitdiff
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tree
2013-09-26
Al
e
xey Shvetsov
progra
m
s: clean up -
W
unused-paramet
e
r
warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-25
Alex
e
y Shvetsov
nb_kernel_sparc64_h
p
c_ace
_
d
o
ub
l
e: cl
e
an up
-
Wunused
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-25
Alexey Shvetso
v
nb_k
e
rnel_sse4_1_double: clean up -
W
unused-p
a
rameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-25
Alexey Shve
t
sov
nb_ke
r
ne
l
_sse2_
d
o
uble: clean
u
p -Wun
u
sed-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-25
Ale
x
ey Shvetsov
nb_
k
e
r
nel_avx_25
6
_double: cle
a
n up -W
u
n
u
sed-para
m
eter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-25
Alexey Shvetsov
nb
_
kern
e
l_avx_128_
f
ma_dou
b
le
:
clean up -Wunused-para
m
e
t
er
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
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commitdiff
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tree
2013-07-25
Al
e
x
ey Shvetsov
nb_kernel_sse2_s
i
ngle:
clean up -Wunused-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-25
Alex
e
y Shv
e
t
s
ov
nb_kern
e
l_
s
se4_1_single: clean
u
p
-W
u
nused-
p
arameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-25
Al
e
xey Shvetsov
nb_kernel_avx_128_f
m
a_single: clean up -Wunused-param
e
te
r
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-25
Alexey Shvetsov
nb_ke
r
ne
l
_
avx
_
256_single: clean up -Wunused-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-25
Alexey Sh
v
etsov
nonbonded and n
b
_kern
e
l_c: clean up -Wunused-par
a
meter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-25
Alexey
Shvets
o
v
md
l
ib: clean up -Wunuse
d
-para
m
eter
w
arnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-18
Alexey Sh
v
e
t
sov
lin
e
aralgebra and fft: clean up -Wunused-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-18
A
l
exey S
h
vetsov
gm
x
lib: cl
e
a
n
u
p -Wunused-parameter w
a
rning
s
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-14
Alexey Sh
v
etsov
gmxp
r
eprocess: clea
n
up -Wunuse
d
-parameter warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-14
Al
e
xey Shvetsov
gmx
a
n
a: clean up -Wunused-paramet
e
r warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-11
Alexey
Shvet
s
ov
Make
u
ncrustify
.
sh
compat
i
ble w
i
th more recent env
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-12-22
Alexey Shvetsov
[tools] g_sans - add
trajectory averegi
n
g
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-12-07
Alexey
S
hvetsov
[tools] Split off
g
_s
a
xs
f
rom g_rdf
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-10-18
A
l
e
x
ey Shvetsov
[
t
ool
s
] Allow g_dist
t
o use default index group
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-10-05
Alexe
y
Shvet
s
ov
[tools] g
_
san
s
-
add trajectory av
e
reging
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-05-09
Alex
e
y Shvetsov
[
t
o
o
l
s] g_sans - add Ope
n
MP based p
a
r
a
llelism
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-04-26
Alexey
S
hv
e
ts
o
v
[too
l
s
] g_sans - s
p
l
i
t
e
d
out fi
x
es and added citation
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2012-03-01
Alexe
y
S
h
v
e
t
sov
[to
o
l
s
] Move common f
u
n
c
t
ions from gmx_sans
.
c t
o
n
sfactor
.
c
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2012-01-25
Alexey
S
h
vetsov
g_sans - tool to co
m
p
u
t
e SANS spectra
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2011-11-08
Alexey S
h
v
e
t
sov
m
d
p
o
pt
i
ons in *
.
html also uses '-' ins
t
ead of
'_'
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2011-10-20
Alexey Sh
v
e
t
so
v
Replace '_' to '-'
i
n
mdp o
p
tions for
t
utorials
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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commitdiff
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2011-10-20
Alexey Shvets
o
v
Replace '_' in
all mdp optio
n
s t
o
'
-'
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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2011-10-11
A
l
exey Shvetsov
Add CMakeLists
.
txt
.
user to git
i
g
nore
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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tree
2011-10-11
Al
e
xey Shv
e
tsov
U
pdated gro
m
pp
.
mdp for tutor/wat
e
r
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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tree