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Removed erronous manual variable handling
2018-11-05
Alexey Sh
v
etsov
Disable
-Wno-mi
s
sing-prototy
p
es
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2018-08-26
Al
e
xey Shvetsov
Add basic operat
i
ons
for gmx::BasicVect
o
r<>
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2017-12-05
A
l
exey Shvetsov
Fix build with cma
k
e
3
.
10 on
L
i
nux
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
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commitdiff
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tree
2016-02-16
A
l
e
x
e
y Sh
v
etsov
Same fix for XeonPhi (double preci
s
io
n
)
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
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commitdiff
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tree
2016-02-16
Alexey Shvetsov
Mak
e
G
R
OMACS comp
i
le
again on XeonPhi
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
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commitdiff
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tree
2015-12-26
Alexey Shvetsov
Make molec
u
l
e
t
ype case sensiti
v
e
commit
|
commitdiff
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tree
2015-09-15
Al
e
xey
S
h
v
e
tsov
pr
o
g
r
ams/view:
m
ove from C
to
C
+
+ heade
r
s
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2015-07-16
Al
e
xey
S
hvetsov
Fix bui
l
d failu
r
e in view/filter
.
c
pp
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2015-06-26
Alexey
S
hvetsov
Fix
recent com
p
ila
t
i
on issu
e
in pullcode
commit
|
commitdiff
|
tree
2015-05-16
Alexey Sh
v
etsov
Make bond-ato
m
types cas
e
sensitiv
e
commit
|
commitdiff
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tree
2014-05-09
Ale
x
ey
Shvetsov
Fi
x
cl
a
ng 3
.
5 warnings regarding
*ab
s
*
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
commitdiff
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tree
2014-04-17
Alexey Shvetsov
Move sfactor
.
[hc] to gm
x
an
a
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2014-02-26
Alexe
y
S
h
vetsov
Fix -Wma
y
be-uninitialized
warning
s
in s
o
me files
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-11-30
Alexey Sh
v
etsov
Fix
-
Wstrict-o
v
erflow in domdec
.
c
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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tree
2013-10-30
Alexey Shvets
o
v
g
r
om
a
cs cpp: c
l
ean up -Wunus
e
d-
p
arameter warni
n
gs
commit
|
commitdiff
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tree
2013-10-30
Alexey Shvetsov
n
b
nxn_kern
e
ls: Cl
e
a
n u
p
-Wunused-p
a
ram
e
te
r
warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-10-29
Alexey Shv
e
t
s
ov
mdli
b
: Clea
n
u
p -Wunused-pa
r
am
e
te
r
wa
r
nings
commit
|
commitdiff
|
tree
2013-09-26
Ale
x
ey
S
hvetsov
g_tune_pm
e
: Cl
e
an up
-
W
u
nused-paramet
e
r warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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tree
2013-09-26
Alexey Shvetsov
programs: clean up -
W
u
nused-parameter wa
r
n
i
ngs
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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tree
2013-07-25
Alexey Shvets
o
v
nb_
k
e
rnel_s
p
a
r
c64_hpc_ace_doub
l
e: clean up -Wun
u
sed
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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tree
2013-07-25
A
l
exey
S
hvetsov
n
b_
k
ernel_sse4_1_double: clea
n
up
-
Wunused-paramet
e
r
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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tree
2013-07-25
Alexey Shvet
s
ov
nb_
k
e
rnel_sse2_dou
b
le: cle
a
n up -Wunused-par
a
met
e
r
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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2013-07-25
Alexey
Sh
v
ets
o
v
nb_kern
e
l
_
avx_256_dou
b
le: clea
n
u
p -
W
unused-par
a
meter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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|
tree
2013-07-25
Alexey Shvetsov
nb_k
e
r
nel_avx_
1
2
8_fma_double: clean
up -Wunuse
d
-p
a
ra
m
et
e
r
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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tree
2013-07-25
Alexey Shvets
o
v
nb_kernel_sse2_si
n
gle:
clean up
-
W
unused-para
m
eter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
commitdiff
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tree
2013-07-25
Alexey Shvetsov
nb_kernel_sse4_1_single: clean up -Wunused-p
a
rameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-25
Alexey Shvetsov
nb
_
kernel_avx_128
_
fma_
s
i
ngle: c
l
ean up
-
Wunused-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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tree
2013-07-25
Ale
x
ey
S
hvetsov
nb_kernel_a
v
x
_
256_single: clean up -Wunused-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-25
Ale
x
ey
S
h
vetsov
nonbonded and nb_kernel_c: clean up -Wunused-parameter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
commitdiff
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tree
2013-07-25
Alexey
S
hvetsov
mdlib: cl
e
a
n up -Wunus
e
d
-
paramete
r
warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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2013-07-18
Alex
e
y Shve
t
sov
linearalgebra and fft: clean up -Wunused-
p
ara
m
eter
.
.
.
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-18
Alexey Shvetsov
gmxlib: clean up -Wunused
-
parameter
w
arnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
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2013-07-14
Alexey Shv
e
ts
o
v
gmxpreprocess: clean
up
-
W
u
nus
e
d-p
a
rameter warn
i
ngs
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
|
tree
2013-07-14
Ale
x
ey S
h
vetsov
gmxana: c
l
ean
up -Wun
u
sed-param
e
ter warnings
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2013-07-11
Alexey Shvetsov
Make uncrust
i
fy
.
sh compatible
with more recent env
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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2012-12-22
A
l
exey S
h
vetsov
[tools] g_sans - add trajecto
r
y
avereging
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
commitdiff
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tree
2012-12-07
Alex
e
y Shvets
o
v
[tool
s
] Split off g_saxs
f
rom g_rdf
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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2012-10-18
A
l
e
x
ey Sh
v
etsov
[tools]
A
l
low g_dist
t
o
u
s
e def
a
ult index group
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2012-10-05
Alexey S
h
vetsov
[too
l
s] g
_
sans - a
d
d trajectory aver
e
ging
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2012-05-09
Alexey Sh
v
etsov
[t
o
ols] g_s
a
ns
-
add
Op
e
nMP b
a
sed parallelism
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2012-04-26
Alexey Shvetsov
[tools] g_s
a
ns - splite
d
out fixes and
a
dd
e
d c
i
tation
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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2012-03-01
Alexey
Sh
v
etso
v
[
tools] Move common functions
f
r
o
m gmx
_
s
a
ns
.
c
t
o nsfactor
.
c
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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2012-01-25
A
l
e
x
e
y
Shvetsov
g_s
a
ns
- tool
t
o compute SANS
spectra
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
commitdiff
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tree
2011-11-08
Alexey Shvets
o
v
mdp options in *
.
h
tm
l
al
s
o uses '-' in
s
tead o
f
'_
'
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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2011-10-20
Alexey Shv
e
tsov
R
eplace
'
_' t
o
'-' in md
p
opti
o
ns for
t
utorials
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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2011-10-20
A
lexey Shvetsov
Replace '_' in all mdp options to '-'
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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2011-10-11
Alexey Shvetsov
Add C
M
akeLists
.
txt
.
u
s
er to gitig
n
ore
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
commit
|
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2011-10-11
Alexey Shvetsov
Updat
e
d
g
r
ompp
.
mdp f
o
r tutor
/
water
Signed-off-by:
Alexey Shvetsov
<alexxy@omrb.pnpi.spb.ru>
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|
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tree