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Dep issues with libgmxpreprocess (#392, #395).
2010-02-18
Chr
i
stoph Junghans
Dep issu
e
s with libgmxpreprocess (#3
9
2, #395
)
.
commit
|
commitdiff
|
tree
2010-02-18
Teemu Murtola
Show git s
h
a1
h
ash in version
s
t
ring (bug #393)
.
commit
|
commitdiff
|
tree
2009-12-19
Teemu M
u
rtola
F
i
xed
in
t
eractive selection hel
p
.
commit
|
commitdiff
|
tree
2009-12-17
Teemu Murtola
Velocitie
s
a
nd
f
orces f
o
r selections
.
commit
|
commitdiff
|
tree
2009-12-16
Teemu M
u
rtola
Use read_stdin_line() for
s
electio
n
s
f
rom
a
p
i
pe
.
commit
|
commitdiff
|
tree
2009-12-14
T
e
e
mu Murt
o
la
Bet
t
er selection stdin handl
i
ng
.
commit
|
commitdiff
|
tree
2009-11-11
T
e
e
m
u
Murtola
Fi
x
ed
segfaul
t
s
with em
p
ty selecti
o
ns
.
commit
|
commitdiff
|
tree
2009-11-11
T
eemu Murtola
M
ore g
e
neral se
l
ection parser gramm
a
r
.
commit
|
commitdiff
|
tree
2009-11-10
Teemu Murtol
a
gmxcpp fi
x
e
s
(bug #3
6
0 plu
s
ot
h
er
f
ixes)
.
commit
|
commitdiff
|
tree
2009-11-10
Teemu
M
urt
o
la
Added a gmxdump -p
o
ption to p
r
eprocess top
o
logy
.
commit
|
commitdiff
|
tree
2009-11-09
Teemu Mur
t
o
la
Some
s
imple
m
emory le
a
k fixes
.
commit
|
commitdiff
|
tree
2009-11-09
Teemu Murtol
a
Added a
r
esind
s
elec
t
ion keyword
.
commit
|
commitdiff
|
tree
2009-11-06
Te
e
mu Murtola
Sel
e
ction merge
now works with consta
n
t p
o
sitions
.
commit
|
commitdiff
|
tree
2009-11-06
T
e
emu Murtola
A
b
it more
mo
d
u
lar selection position handling
.
commit
|
commitdiff
|
tree
2009-11-06
Te
e
mu Murtola
Better g_energy -nmol beh
a
vio
r
(b
u
g
#365)
.
commit
|
commitdiff
|
tree
2009-11-05
Teemu Murtola
More modular position
handlin
g
.
commit
|
commitdiff
|
tree
2009-11-05
Teemu
Murtola
More
f
lexible se
l
ection merging
.
commit
|
commitdiff
|
tree
2009-11-05
Teem
u
Murtola
S
e
lection merge keywor
d
fixe
s
.
commit
|
commitdiff
|
tree
2009-11-05
T
e
emu Murto
l
a
Added a missi
n
g return in gmx_fio_get_file_
m
d5(
)
.
commit
|
commitdiff
|
tree
2009-11-04
Tee
m
u Murtola
Additional selection k
e
yw
o
r
ds (plus a
n
d
merg
e
)
.
commit
|
commitdiff
|
tree
2009-11-02
Teemu Murtola
Improved
Doxyge
n
docs for sele
c
ti
o
n internals
.
commit
|
commitdiff
|
tree
2009-10-29
Teemu Murto
l
a
Improved
i
n
teractive sel
e
ction in
p
u
t
.
commit
|
commitdiff
|
tree
2009-10-28
T
eemu Murtola
U
pd
a
ted se
l
ectio
n
documentation
.
commit
|
commitdiff
|
tree
2009-10-27
Teemu Murtola
Selection parser cleanup
.
commit
|
commitdiff
|
tree
2009-10-26
Teemu Murtola
Analysis lib
.
can now analyze just a topology
.
commit
|
commitdiff
|
tree
2009-10-26
Teemu Mur
t
ola
F
i
xed sele
c
tio
n
s intro
d
u
c
ed
i
n commit 82ecf01
.
.
.
commit
|
commitdiff
|
tree
2009-10-26
T
e
e
m
u Murt
o
la
Fixed a segfau
l
t in selection lib
.
commit
|
commitdiff
|
tree
2009-10-21
Teemu M
u
rtola
Fourier dihedrals
(
dih
.
t
ype 5) should now work
.
commit
|
commitdiff
|
tree
2009-10-09
Teemu Mu
r
tola
Imple
m
ented selections li
k
e "occupancy 0
.
5
t
o
1
"
.
commit
|
commitdiff
|
tree
2009-10-09
Teemu Murtol
a
M
o
r
e flexible selecti
o
n
parser syntax
.
commit
|
commitdiff
|
tree
2009-10-08
Teemu Murtola
Better error ha
n
dling in selection
p
arsing
.
commit
|
commitdiff
|
tree
2009-10-08
Te
e
m
u Murtola
Reorganizati
o
n of se
l
ection p
a
rser
.
commit
|
commitdiff
|
tree
2009-10-08
Teemu Murtola
Fixed/better select
i
on
name
i
n
itiali
z
ation
.
commit
|
commitdiff
|
tree
2009-10-08
Teemu Murtola
S
e
l
e
c
tion ou
t
put to xvgr
fi
l
e
s
is now c
l
e
ane
r
.
commit
|
commitdiff
|
tree
2009-10-07
Teemu Murtola
Renamed
INT to INTEGER in selection parser
.
commit
|
commitdiff
|
tree
2009-10-07
Teem
u
Mu
r
tola
CMake chec
k
s
f
or regular expression supp
o
rt
.
commit
|
commitdiff
|
tree
2009-10-07
T
e
e
m
u Murtola
CMake buil
d
f
or selecti
o
n libr
a
ry
.
commit
|
commitdiff
|
tree
2009-10-07
Teemu Murt
o
la
Fixed some
W
indow
s
build issues with select
i
ons
.
commit
|
commitdiff
|
tree
2009-10-06
Teemu Mur
t
o
l
a
Au
t
o
c
onf che
c
ks
fo
r
reg
u
lar exp
r
e
ssion suppor
t
.
commit
|
commitdiff
|
tree
2009-10-06
T
eemu Murtola
Don'
t
use POS
I
X fnmatch()
for pattern
m
atching
.
commit
|
commitdiff
|
tree
2009-10-05
Te
e
mu Murtola
Merge bran
c
h
'
master'
o
f
gi
t
@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2009-10-05
Teemu Murtola
Fix
e
d me
m
ory handling i
s
su
e
s in selections
.
commit
|
commitdiff
|
tree
2009-10-02
Teemu Murtola
Trim e
x
tra spa
c
e from defau
l
t sel
e
ction na
m
es
.
commit
|
commitdiff
|
tree
2009-09-30
Teemu
M
u
r
tol
a
Fixed a compiler warning in gmx_se
l
ect
.
c
.
commit
|
commitdiff
|
tree
2009-09-29
Teemu Murtol
a
Adde
d
an if
d
ef around isatt
y
() call
.
commit
|
commitdiff
|
tree
2009-09-29
T
e
e
m
u
M
u
rt
o
la
Limit
e
d debu
g
ging
o
utput
for large selections
.
commit
|
commitdiff
|
tree
2009-09-29
T
e
emu
Murtola
D
e
fault groups for selections from a file
.
commit
|
commitdiff
|
tree
2009-09-25
Teemu Murtola
S
o
m
e
more flex
i
bil
i
t
y in boolean
selection
f
la
g
s
.
commit
|
commitdiff
|
tree
2009-09-25
Teemu Mu
r
tola
More flexib
l
e boolean flags in sele
c
tion keywords
.
commit
|
commitdiff
|
tree
2009-09-25
Teemu
M
urto
l
a
scanner
.
l
no
w
on
l
y contains grammar defin
i
tions
.
commit
|
commitdiff
|
tree
2009-09-24
Teemu M
u
rt
o
la
Some more cle
a
nup in the selection pars
e
r
.
commit
|
commitdiff
|
tree
2009-09-24
T
e
emu
M
urt
o
la
C
lean-up o
f
sel
e
ction parser
c
o
d
e
.
commit
|
commitdiff
|
tree
2009-09-24
Teemu M
u
rtola
Re
o
rganized sele
c
ti
o
n par
s
er code
.
commit
|
commitdiff
|
tree
2009-09-18
Teemu M
u
rtola
T
he
a
nalysis tool tem
p
late compiles again
.
commit
|
commitdiff
|
tree
2009-09-18
Teemu Murtola
Fix
e
d
the title on the Doxygen mai
n
page
.
commit
|
commitdiff
|
tree
2009-09-18
Te
e
mu
M
u
rt
o
la
Improved Doxygen page structur
e
.
commit
|
commitdiff
|
tree
2009-09-18
Tee
m
u
Murtola
Cleaned Doxyg
e
n ou
t
put with INTERNAL_DOC
S
=no
.
commit
|
commitdiff
|
tree
2009-09-17
Teemu
Murtola
Unified D
o
x
y
gen comments in analysis library
.
commit
|
commitdiff
|
tree
2009-09-17
T
eemu Mur
t
ola
Ad
d
ed help texts for sel
e
c
t
ion keywords
.
commit
|
commitdiff
|
tree
2009-09-17
Teemu Mur
t
ol
a
Improv
e
m
ents in sele
c
tion help (keywor
d
s by typ
e
)
.
commit
|
commitdiff
|
tree
2009-09-16
Te
e
mu Murto
l
a
Fixed a me
m
ory
l
eak
i
n
p
r
in
t
_tt_form
a
tted(
)
.
commit
|
commitdiff
|
tree
2009-09-16
Teemu Murtola
Added hel
p
te
x
ts for
selec
t
ions
.
commit
|
commitdiff
|
tree
2009-09-16
Teemu
Murtola
F
r
a
mework for pri
n
ting help for selecti
o
ns
.
commit
|
commitdiff
|
tree
2009-09-14
Te
e
m
u
Murtola
Fi
x
ed an
output file b
u
g in tra
j
.
analy
s
is li
b
.
commit
|
commitdiff
|
tree
2009-09-14
Teem
u
Murtola
Mo
r
e informative default selection names
.
commit
|
commitdiff
|
tree
2009-09-11
Teemu Murtola
Imp
l
emented a "s
a
me residue as" se
l
ection method
.
commit
|
commitdiff
|
tree
2009-09-11
Teemu Murtol
a
Fixed a bug in s
e
lecting
one-atom residues
.
commit
|
commitdiff
|
tree
2009-09-11
Teemu Murtola
More con
t
rol over residue output of g_select
.
commit
|
commitdiff
|
tree
2009-09-10
Teemu Murtola
Minor
se
l
ection
fix (aff
e
ct
s
mindist
a
nd within)
.
commit
|
commitdiff
|
tree
2009-09-10
Teemu Murtola
Added very rudiment
a
ry s
u
pport for Doxy
g
en
.
commit
|
commitdiff
|
tree
2009-09-09
Teemu Murt
o
l
a
Added _gmx_s
e
l_ prefix to all
F
le
x
/Bison sym
b
o
ls
.
commit
|
commitdiff
|
tree
2009-09-08
Teemu
Murtola
T
raj
.
analysis st
r
ucture
no
w
pas
s
es
oenv aroun
d
.
commit
|
commitdiff
|
tree