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Fixed a rare bug in selection position handling.
2011-02-16
Teem
u
Murtola
Fixed
a
rare
b
ug in selecti
o
n posit
i
on ha
n
dling
.
commit
|
commitdiff
|
tree
2010-10-18
T
eemu Murtola
Use CMake install for i
n
stall-mdr
u
n (bugs #549,
#555)
commit
|
commitdiff
|
tree
2010-10-13
Teemu Murtola
Fixed select
i
o
n
p
r
o
blems with a min
u
s
sign
.
commit
|
commitdiff
|
tree
2010-10-13
Teemu Murtola
F
i
xed valgrind war
n
ings in selections
.
commit
|
commitdiff
|
tree
2010-10-13
T
eemu Murtol
a
Fi
x
ed
m
o
re s
e
l
ection n
e
gat
i
on s
e
gfaults
.
commit
|
commitdiff
|
tree
2010-10-13
Te
e
mu
Murt
o
la
F
i
xed se
g
fa
u
lts wit
h
negations in selections
.
commit
|
commitdiff
|
tree
2010-09-20
Teemu Murtol
a
Fi
x
es for
sele
c
tion modifier
initiali
z
ation
.
commit
|
commitdiff
|
tree
2010-09-14
Teemu Murtola
Fixed ve
r
s
i
on g
e
neration scr
i
pt to work
on
Macs
.
commit
|
commitdiff
|
tree
2010-09-10
T
e
emu Murtola
CMa
k
e
docu
m
entation impr
o
vements
(b
u
g #539)
.
commit
|
commitdiff
|
tree
2010-09-06
Teemu
Murtola
Impro
v
e
d
p
acka
g
e v
e
rsion handlin
g
in CMake
.
commit
|
commitdiff
|
tree
2010-08-31
T
eemu Murtol
a
Fix
e
d CMak
e
libxml2 det
e
c
t
io
n
.
commit
|
commitdiff
|
tree
2010-08-30
Te
e
mu Murtola
Co
s
metic f
i
x to incl
u
d
e
/
C
MakeLists
.
txt
.
commit
|
commitdiff
|
tree
2010-08-26
T
e
emu Murtola
Fixed valgrind warn
i
ngs and a
segfa
u
lt in pdb2gmx
.
commit
|
commitdiff
|
tree
2010-08-13
Te
e
mu
M
urtola
Co
s
me
t
ic fi
x
es for selecti
o
n pa
r
sing
.
commit
|
commitdiff
|
tree
2010-08-13
Teemu Murto
l
a
Fixed CMake bui
l
d with CMake 2
.
6
.
2
.
commit
|
commitdiff
|
tree
2010-08-11
Te
e
mu Murtol
a
F
i
xed non-interactive stdin sel
e
ction
p
arsing
.
commit
|
commitdiff
|
tree
2010-08-10
Tee
m
u
M
u
r
t
ol
a
Fixed a segfaul
t
i
n
select
i
o
n
code
.
commit
|
commitdiff
|
tree
2010-08-09
Teemu Murtola
Fixed compiler warn
i
n
gs in qm_orca
.
c
.
commit
|
commitdiff
|
tree
2010-08-09
Teemu
M
urtola
More PME-User-Swi
t
ch fixes
.
commit
|
commitdiff
|
tree
2010-08-09
Teemu Murtola
F
ixes
f
or PME-User
-
Switch
.
commit
|
commitdiff
|
tree
2010-08-06
T
e
emu Murtola
Added a comment abou
t
ICC warnings
i
n parser
.
y
.
commit
|
commitdiff
|
tree
2010-06-29
T
eemu M
u
rtola
mdrun again prints
c
op
y
right notice to std
e
rr
.
commit
|
commitdiff
|
tree
2010-06-29
T
e
emu Murtola
Added gmxcpp
s
uppor
t
for
-Dfoo=ba
r
i
n mdp
files
.
commit
|
commitdiff
|
tree
2010-06-28
Teemu M
u
rtola
Remove
d
unnecessary typecasts f
r
om
s
ma
l
loc
.
h
.
commit
|
commitdiff
|
tree
2010-06-28
Teem
u
Murtola
Fix
e
d s
o
me ea
s
y-to-fix C
+
+ war
n
ings
.
commit
|
commitdiff
|
tree
2010-06-28
Teemu Murtol
a
Fixed a
typo in selection compiler
.
commit
|
commitdiff
|
tree
2010-06-22
Teemu Mur
t
o
l
a
Fixed gmxcpp directory search fo
r
include files
.
commit
|
commitdiff
|
tree
2010-06-13
Teem
u
Murt
o
la
Fixed a co
m
piler wa
r
ning
.
commit
|
commitdiff
|
tree
2010-06-08
Te
e
mu Murtola
Ch
a
n
ged select
i
on bool
e
an oper
a
t
or pr
e
cedence
.
commit
|
commitdiff
|
tree
2010-05-27
T
e
emu
Murto
l
a
Fixed a few si
g
ned/u
n
si
g
n
ed co
m
pari
s
on warni
n
g
s
.
commit
|
commitdiff
|
tree
2010-05-21
T
e
emu Mu
r
t
ola
Selecti
o
ns comp
i
ler
c
omm
e
nts and
deb
u
gging aids
.
commit
|
commitdiff
|
tree
2010-05-21
Teemu Murtola
Simplified s
e
lecti
o
n
c
ompilation, fix
i
ng a
bug
.
commit
|
commitdiff
|
tree
2010-05-20
Te
e
mu
M
ur
t
o
l
a
Added
gem
i
nate
.
c to src/
t
ools/CM
a
keLis
t
s
.
t
xt
.
commit
|
commitdiff
|
tree
2010-05-20
Te
e
mu Murtol
a
Reduced memory
u
sage
f
or stat
i
c se
l
ect
i
ons
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu M
u
r
tola
S
election
c
ompiler bug
fix
.
commit
|
commitdiff
|
tree
2010-05-20
T
eemu Murtol
a
Fixed
sav
e
_real
l
oc()
to not leak memory
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu Murtola
Reduce
d
memory use fo
r
arithmet
i
c
i
n
selections
.
commit
|
commitdiff
|
tree
2010-05-20
Tee
m
u
M
u
rtola
Re
m
o
v
ed com
p
iler war
n
ings
.
commit
|
commitdiff
|
tree
2010-05-19
Teemu
Murtola
Merge branc
h
'master' of git
@
g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Teemu
Murtola
Removed obsole
t
e
selection c
o
de
.
commit
|
commitdiff
|
tree
2010-05-19
Te
e
mu
Murtola
Big rework of selec
t
i
on compilation/evaluation
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu Murtola
Restructur
e
d s
e
le
c
tion s
u
bexpression compilation
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu Murtola
Basic selection mem
o
ry pooling
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu Mu
r
tola
S
impler special case subexpression handling
.
commit
|
commitdiff
|
tree
2010-05-14
T
eemu
M
urto
l
a
Se
l
ection
compil
e
r bool flags into a
s
ingle f
i
e
l
d
.
commit
|
commitdiff
|
tree
2010-05-11
Teemu Murtol
a
Upd
a
ted share/top Makefile
.
am fil
e
s
.
commit
|
commitdiff
|
tree
2010-05-11
Teemu Murtola
Grid-based
uti
l
i
t
y nb
s
ear
c
h i
m
plementation
.
commit
|
commitdiff
|
tree
2010-05-11
Teemu
Murtola
Improved neighb
o
r
searching API for analysi
s
.
commit
|
commitdiff
|
tree
2010-05-07
Teemu M
u
r
tola
Minor
improvements to selection
h
elp
.
commit
|
commitdiff
|
tree
2010-05-07
Te
e
mu Murtola
B
asic arithmetic e
x
p
ression s
u
p
p
ort in selectio
n
s
.
commit
|
commitdiff
|
tree
2010-05-06
Teemu Murtola
More memory opt
i
mizations for selection
s
.
commit
|
commitdiff
|
tree
2010-05-06
Teemu Murtola
Red
u
ced peak memory us
a
g
e for selec
t
ions
.
commit
|
commitdiff
|
tree
2010-05-05
T
eemu Murto
l
a
Fixed a bug in gmx_wcmatch()
.
commit
|
commitdiff
|
tree
2010-04-29
Teemu Mur
t
ola
Fixed some memory lea
k
s
.
commit
|
commitdiff
|
tree
2010-04-29
Teemu Murtola
F
i
x for trjconv -e optio
n
(
b
u
g #305)
.
commit
|
commitdiff
|
tree
2010-04-28
Teem
u
Murtol
a
Fi
x
ed g_w
h
a
m error message (bugzilla #397)
.
commit
|
commitdiff
|
tree
2010-04-28
T
e
emu
M
u
r
tol
a
Adde
d
a few f
u
nctions for f
r
ee
i
n
g
memory
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtol
a
Se
l
ection
bas
e
d on molecule num
b
e
r
s
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtol
a
Fixed a memory leak in selection co
d
e
.
commit
|
commitdiff
|
tree
2010-04-27
Teem
u
M
u
rtola
"same"
s
e
l
ection
s
with stri
n
g k
e
ywords
.
commit
|
commitdiff
|
tree
2010-04-27
Teemu Murtola
Support
for select
i
on string keywords as p
a
rams
.
commit
|
commitdiff
|
tree
2010-04-27
Te
e
m
u Murtola
Fixed
a
memory leak in p
a
rse_commo
n
_args
.
commit
|
commitdiff
|
tree
2010-04-27
T
e
emu Murtol
a
Removed incor
r
e
ct make mdrun cmds in Makefile
.
a
m
.
commit
|
commitdiff
|
tree
2010-04-26
T
e
emu Murt
o
la
Merge branc
h
'master' of g
i
t@git
.
g
r
o
macs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-04-26
Teemu Murtola
Improved selection keyw
o
rd "
s
ame"
.
commit
|
commitdiff
|
tree
2010-04-26
Teemu M
u
rtola
A
dded some
s
y
n
onyms for c
o
mmon selection keywords
.
commit
|
commitdiff
|
tree
2010-04-26
Teem
u
Murt
o
la
Fixed minor memo
r
y l
e
ak on some sel
e
ction errors
.
commit
|
commitdiff
|
tree
2010-04-26
Teemu Murtola
Improveme
n
t
to commit 67311e3
.
commit
|
commitdiff
|
tree
2010-04-26
Teemu Murtol
a
Improved select
i
on subex
p
ress
i
on compilation
.
commit
|
commitdiff
|
tree
2010-04-22
Teemu Murt
o
la
S
eparate met
h
od for freeing selection method
d
at
a
.
commit
|
commitdiff
|
tree
2010-04-22
Teem
u
Murtola
Ma
d
e tw
o
selection p
a
r
ser
f
un
c
tio
n
s non-
s
tatic
.
commit
|
commitdiff
|
tree
2010-04-22
Teemu Murtola
S
electi
o
n compiler memo
r
y allocation bug fix
.
commit
|
commitdiff
|
tree
2010-04-22
Teemu Murtola
S
u
pport init_frame in static selec
t
ion methods
.
commit
|
commitdiff
|
tree
2010-04-20
T
eemu Mu
r
tola
Add
e
d g_select to
p
rograms
.
txt
.
commit
|
commitdiff
|
tree
2010-04-20
Teemu Murtola
More robu
s
t libtool p
r
ef
i
x strippi
n
g
.
commit
|
commitdiff
|
tree
2010-04-12
Teemu Mur
t
ola
C++ fixe
s
f
o
r sne
w
() and
friends
.
commit
|
commitdiff
|
tree
2010-04-08
T
eemu
Murtola
Autoconf
c
hecks for version
i
nf
o
ge
n
erati
o
n
.
commit
|
commitdiff
|
tree
2010-03-24
Teemu
M
urtola
Fixed genversion
.
sh on M
a
cs
.
commit
|
commitdiff
|
tree
2010-03-11
Teemu Murtola
Minor versi
o
n strin
g
u
pdate
.
commit
|
commitdiff
|
tree
2010-03-05
Teemu Murtola
Improved version strings
.
commit
|
commitdiff
|
tree
2010-03-04
Teemu Mu
r
tola
Ad
d
e
d selectio
n
examples
.
commit
|
commitdiff
|
tree
2010-03-01
Te
e
m
u Murtola
Fixed a bug causing in
c
o
r
r
e
ct empty se
l
ection
s
.
commit
|
commitdiff
|
tree
2010-02-26
Christoph Jung
h
a
ns
I
n
s
tall pkgconfig files for
l
i
braries (
b
ug #370
)
.
commit
|
commitdiff
|
tree
2010-02-26
Teemu
M
urtola
Improved version for bui
l
d
s
f
rom modified tree
s
.
commit
|
commitdiff
|
tree
2010-02-22
T
e
e
mu Murtola
Backported git sha1 version
s
tring
(b
u
gzilla
#393
)
.
commit
|
commitdiff
|
tree
2010-02-18
Teemu M
u
r
t
ola
A m
o
re intuitive fix
to copy
r
ite
.
c dep
e
n
d
enc
y
.
commit
|
commitdiff
|
tree
2010-02-18
Christoph Junghans
Dep
i
ssu
e
s with libgmxprep
r
ocess (
#
3
9
2, #395)
.
commit
|
commitdiff
|
tree
2010-02-18
Teemu
Murtola
Show git
sha1
ha
s
h
in version string (bug
#393)
.
commit
|
commitdiff
|
tree
2009-12-19
Teemu M
u
r
tola
Fi
x
ed
i
n
t
eractive selection help
.
commit
|
commitdiff
|
tree
2009-12-17
Teemu Murtol
a
V
e
locities a
n
d forces for sel
e
ctions
.
commit
|
commitdiff
|
tree
2009-12-16
T
e
emu Murtola
Us
e
r
ead_stdi
n
_
l
ine() for selections from a pipe
.
commit
|
commitdiff
|
tree
2009-12-14
Teemu Murtola
Be
t
ter selection stdin handling
.
commit
|
commitdiff
|
tree
2009-11-11
Teemu M
u
rtola
Fixed segf
a
ults with
empty selections
.
commit
|
commitdiff
|
tree
2009-11-11
T
eem
u
Murtola
More general sele
c
ti
o
n
parser grammar
.
commit
|
commitdiff
|
tree
2009-11-10
Teemu Mu
r
tola
gmxcpp fix
e
s (bug #360 plus othe
r
fix
e
s)
.
commit
|
commitdiff
|
tree
2009-11-10
Teemu M
u
rtola
gmxc
p
p fix
e
s (
b
ug #360 plus oth
e
r fixes)
.
commit
|
commitdiff
|
tree
2009-11-10
T
e
e
mu
Murtola
Adde
d
a
g
m
x
d
um
p
-p
o
ption to preprocess
top
o
lo
g
y
.
commit
|
commitdiff
|
tree
2009-11-09
Teem
u
M
u
rtola
So
m
e
simple memor
y
leak fix
e
s
.
commit
|
commitdiff
|
tree
2009-11-09
Teemu Mur
t
o
la
A
d
ded
a resind selecti
o
n keyword
.
commit
|
commitdiff
|
tree
2009-11-06
Teemu Murtola
Selection merge now works with c
o
ns
t
ant
p
ositions
.
commit
|
commitdiff
|
tree
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