repo.or.cz
/
gromacs
/
qmmm-gamess-us.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
minor fixes in ditribution files
2010-05-27
Teemu Murtola
Fixed a few signed/unsigned comp
a
r
is
o
n warnings
.
commit
|
commitdiff
|
tree
2010-05-21
T
eemu Murtola
Sele
c
t
i
ons c
o
mpiler commen
t
s
an
d
d
ebu
g
ging aids
.
commit
|
commitdiff
|
tree
2010-05-21
Te
e
mu Murto
l
a
Si
m
plif
i
ed sele
c
ti
o
n compilation,
f
ixing a bug
.
commit
|
commitdiff
|
tree
2010-05-20
T
eemu Murtola
Added geminate
.
c to s
r
c
/tools/CMakeLists
.
txt
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu Murtola
R
educed memory usag
e
for stat
i
c
s
elections
.
commit
|
commitdiff
|
tree
2010-05-20
Tee
m
u Mur
t
ola
S
el
e
ction com
p
iler bug fix
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu Murtola
F
i
x
ed sa
v
e_realloc() to no
t
leak memory
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu Murt
o
la
Reduced
memor
y
u
s
e for arithmet
i
c in selectio
n
s
.
commit
|
commitdiff
|
tree
2010-05-20
Teemu
M
u
rtola
Removed compiler warn
i
n
gs
.
commit
|
commitdiff
|
tree
2010-05-19
Teemu
M
urt
o
la
Merge b
r
anch 'master' of git@git
.
gromacs
.
org:g
r
o
ma
c
s
commit
|
commitdiff
|
tree
2010-05-19
Teemu Murtol
a
Removed
obsolete selection cod
e
.
commit
|
commitdiff
|
tree
2010-05-19
Teemu M
u
rt
o
la
B
i
g rework of selection compilat
i
on/evaluati
o
n
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu Mur
t
o
la
Restru
c
tured s
e
lecti
o
n subexp
r
ession compilation
.
commit
|
commitdiff
|
tree
2010-05-14
T
eemu Murtol
a
Basic selection memor
y
p
o
oling
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu M
u
rtola
Simpler speci
a
l case subex
p
ression
handling
.
commit
|
commitdiff
|
tree
2010-05-14
Teemu
M
urtola
Selection compiler bool fla
g
s into a
singl
e
field
.
commit
|
commitdiff
|
tree
2010-05-11
Tee
m
u Murtola
U
pdat
e
d s
h
a
re/top
M
ake
f
i
l
e
.
am f
i
les
.
commit
|
commitdiff
|
tree
2010-05-11
Teemu
M
u
r
tola
Grid
-
b
ase
d
u
tility nbsearch
i
mple
m
entati
o
n
.
commit
|
commitdiff
|
tree
2010-05-11
Teem
u
Murtola
Im
p
roved neigh
b
o
r
se
a
rching AP
I
for
a
n
a
lysis
.
commit
|
commitdiff
|
tree
2010-05-07
T
e
e
mu Mur
t
ola
Minor imp
r
o
v
ement
s
to selection
help
.
commit
|
commitdiff
|
tree
2010-05-07
Teem
u
M
u
r
t
ola
B
a
sic
a
ri
t
hm
e
tic exp
r
ession support in selections
.
commit
|
commitdiff
|
tree
2010-05-06
Teemu M
u
r
tola
M
o
re memory o
p
timization
s
f
o
r selections
.
commit
|
commitdiff
|
tree
2010-05-06
Teemu Murtola
Reduced
p
eak memo
r
y u
s
age
f
or sel
e
ctio
n
s
.
commit
|
commitdiff
|
tree
2010-05-05
Teemu Mu
r
tola
F
i
xed
a bu
g
in g
m
x_wcmatch(
)
.
commit
|
commitdiff
|
tree
2010-04-29
T
e
e
mu Murt
o
la
Fixed some m
e
m
o
ry
l
eaks
.
commit
|
commitdiff
|
tree
2010-04-29
T
e
emu Murtola
Fix for
t
rjc
o
nv -e option (bug #305)
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu
M
u
rtola
Fixed g_wha
m
error me
s
sage (bugzi
l
la #397)
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtola
A
dded a few funct
i
ons for freeing memory
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtola
Selec
t
ion b
a
sed on molecule number
s
.
commit
|
commitdiff
|
tree
2010-04-28
Teemu Murtola
Fixed
a
memory le
a
k in selection c
o
de
.
commit
|
commitdiff
|
tree
2010-04-27
Teemu Mu
r
tola
"same" selections with
s
tri
n
g
key
w
o
rds
.
commit
|
commitdiff
|
tree
2010-04-27
T
eemu Murtola
Su
p
por
t
for selec
t
ion str
i
ng
k
eywords as p
a
rams
.
commit
|
commitdiff
|
tree
2010-04-27
T
eemu Murtola
F
ixed
a
memory leak in
p
arse_commo
n
_args
.
commit
|
commitdiff
|
tree
2010-04-27
T
eemu Murto
l
a
Remo
v
ed incorrect make
md
r
u
n
cmd
s
in Makefile
.
am
.
commit
|
commitdiff
|
tree
2010-04-26
Teemu M
u
rtola
Merge branch 'mast
e
r' of
git@g
i
t
.
gr
o
macs
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-04-26
Te
e
mu M
u
rtola
I
m
proved selection keyword "sam
e
"
.
commit
|
commitdiff
|
tree
2010-04-26
Teemu Murto
l
a
Added some s
y
nonyms for common select
i
on keywords
.
commit
|
commitdiff
|
tree
2010-04-26
T
eemu Mur
t
ola
Fix
e
d minor
mem
o
ry leak on some selection
er
r
or
s
.
commit
|
commitdiff
|
tree
2010-04-26
T
eemu M
u
rtola
Imp
r
ovem
e
nt to commi
t
67311e3
.
commit
|
commitdiff
|
tree
2010-04-26
Teemu Murtola
Im
p
r
o
ved selection subexpr
e
s
s
i
on com
p
ilat
i
on
.
commit
|
commitdiff
|
tree
2010-04-22
T
e
em
u
Murt
o
l
a
Separate me
t
hod for freeing se
l
ection method data
.
commit
|
commitdiff
|
tree
2010-04-22
Te
e
m
u Murt
o
la
Made two selection parser functio
n
s non-static
.
commit
|
commitdiff
|
tree
2010-04-22
Teemu Mur
t
ola
Selec
t
i
on c
o
mp
i
ler mem
o
ry all
o
c
a
t
i
o
n
bug
fix
.
commit
|
commitdiff
|
tree
2010-04-22
Teemu Murtola
Support i
n
it
_
frame
i
n
s
tatic se
l
ection methods
.
commit
|
commitdiff
|
tree
2010-04-20
Teemu Murtola
Added g_sel
e
ct to p
r
ograms
.
t
x
t
.
commit
|
commitdiff
|
tree
2010-04-20
Tee
m
u M
u
rtola
More robus
t
libtool
prefix stripping
.
commit
|
commitdiff
|
tree
2010-04-12
Teemu M
u
rtola
C++ fixes for snew() and
fr
i
e
n
ds
.
commit
|
commitdiff
|
tree
2010-04-08
Teemu Murt
o
l
a
Autoconf checks for versi
o
n
i
n
fo gener
a
tio
n
.
commit
|
commitdiff
|
tree
2010-03-24
Teemu Murtola
Fi
x
ed genversion
.
sh on Macs
.
commit
|
commitdiff
|
tree
2010-03-11
Teemu
Murtola
M
i
n
or versio
n
string update
.
commit
|
commitdiff
|
tree
2010-03-05
T
e
emu Mu
r
tola
Impr
o
ved version stri
n
gs
.
commit
|
commitdiff
|
tree
2010-03-04
Teemu
M
urtola
Added selectio
n
exam
p
les
.
commit
|
commitdiff
|
tree
2010-03-01
T
e
e
mu Murtola
Fixed a bug c
a
using in
c
orre
c
t e
m
pty s
e
lections
.
commit
|
commitdiff
|
tree
2010-02-26
Teemu
Murtola
Im
p
r
o
ved ve
r
s
ion for builds from modified tr
e
es
.
commit
|
commitdiff
|
tree
2010-02-22
Te
e
mu M
u
rtola
B
a
ckpor
t
ed
git
sha1 versi
o
n s
t
ri
n
g (bugzilla #393)
.
commit
|
commitdiff
|
tree
2010-02-18
Teem
u
Murt
o
la
A more int
u
itive fix
to copyrite
.
c depen
d
enc
y
.
commit
|
commitdiff
|
tree
2010-02-18
Tee
m
u Murtola
Show git sha1 h
a
sh in
v
ersion string (bug #393)
.
commit
|
commitdiff
|
tree
2009-12-19
Te
e
mu M
u
r
t
ola
F
i
xed interactive se
l
ect
i
on
help
.
commit
|
commitdiff
|
tree
2009-12-17
Teemu
M
urtola
V
e
l
ocitie
s
a
nd forces for selections
.
commit
|
commitdiff
|
tree
2009-12-16
Te
e
m
u
M
ur
t
ola
Use r
e
ad_stdin_line() for se
l
ec
t
i
o
n
s from a pi
p
e
.
commit
|
commitdiff
|
tree
2009-12-14
Teemu
M
urtola
Bett
e
r selecti
o
n
std
i
n handling
.
commit
|
commitdiff
|
tree
2009-11-11
Teemu Mur
t
ola
F
i
xed s
e
gfaults
with empt
y
selections
.
commit
|
commitdiff
|
tree
2009-11-11
Tee
m
u Murtola
More
g
ener
a
l selection pars
e
r
grammar
.
commit
|
commitdiff
|
tree
2009-11-10
T
e
emu Mur
t
ola
gmxcp
p
fixes (bug #360 plus ot
h
er fixes)
.
commit
|
commitdiff
|
tree
2009-11-10
Te
e
mu Murtola
gmxcpp fixes (bug #3
6
0
plus ot
h
er fixes)
.
commit
|
commitdiff
|
tree
2009-11-10
Teemu Murto
l
a
A
d
ded a
g
mxdum
p
-p o
p
ti
o
n to
p
reprocess topology
.
commit
|
commitdiff
|
tree
2009-11-09
Tee
m
u Murtola
Some simple
m
emo
r
y leak fixes
.
commit
|
commitdiff
|
tree
2009-11-09
Tee
m
u Murtola
A
dded a resi
n
d select
i
on keyword
.
commit
|
commitdiff
|
tree
2009-11-06
Tee
m
u
Murtola
S
electio
n
merge now works
with constant pos
i
tions
.
commit
|
commitdiff
|
tree
2009-11-06
Teemu Murtola
A bit
more mo
d
ula
r
selec
t
i
on positio
n
h
a
ndling
.
commit
|
commitdiff
|
tree
2009-11-06
Tee
m
u
M
u
rto
l
a
Bet
t
e
r g_energy
-
nmol behavior (bug #365)
.
commit
|
commitdiff
|
tree
2009-11-06
Teemu Mu
r
tola
Better g_e
n
ergy -
n
mol beha
v
io
r
(bug #365)
.
commit
|
commitdiff
|
tree
2009-11-05
T
eemu
M
urtola
Mo
r
e
mod
u
la
r
position han
d
ling
.
commit
|
commitdiff
|
tree
2009-11-05
Teemu M
u
rtola
Mo
r
e fl
e
xible selecti
o
n
m
ergi
n
g
.
commit
|
commitdiff
|
tree
2009-11-05
Teemu
Murto
l
a
Selection merge
k
e
yword fixes
.
commit
|
commitdiff
|
tree
2009-11-05
Tee
m
u
Murtola
Add
e
d
a missing retur
n
i
n gmx_fio_get_file_m
d
5()
.
commit
|
commitdiff
|
tree
2009-11-04
T
eemu
Murtola
Additi
o
n
al selection keyword
s
(plus and
merge)
.
commit
|
commitdiff
|
tree
2009-11-02
Tee
m
u Murtola
Impro
v
e
d Doxygen docs for
s
election int
e
rnals
.
commit
|
commitdiff
|
tree
2009-10-29
T
eemu
M
u
r
to
l
a
Im
p
roved
i
n
t
eract
i
ve s
e
lection input
.
commit
|
commitdiff
|
tree
2009-10-28
T
e
emu Murtola
Updated selection
document
a
t
ion
.
commit
|
commitdiff
|
tree
2009-10-27
Teemu Murtola
S
election parser cleanu
p
.
commit
|
commitdiff
|
tree
2009-10-26
T
e
emu Mu
r
tola
Analysi
s
lib
.
can
now analyz
e
j
u
st a
t
opology
.
commit
|
commitdiff
|
tree
2009-10-26
Teemu Murtol
a
Fixe
d
sele
c
tions
introduc
e
d in commit 82ecf01
.
.
.
commit
|
commitdiff
|
tree
2009-10-26
T
e
e
m
u
Murt
o
la
Fixed a seg
f
ault in selectio
n
lib
.
commit
|
commitdiff
|
tree
2009-10-21
Teemu Mu
r
tola
Fourier
d
ihedrals
(
d
i
h
.
type 5)
should now work
.
commit
|
commitdiff
|
tree
2009-10-21
Teem
u
Murto
l
a
Fourier dihedrals
(d
i
h
.
type
5
)
sh
o
uld
n
o
w work
.
commit
|
commitdiff
|
tree
2009-10-09
T
e
em
u
Murtola
Impleme
n
ted selections l
i
ke "oc
c
upan
c
y 0
.
5 to 1"
.
commit
|
commitdiff
|
tree
2009-10-09
Teemu Murtola
More flexib
l
e selection parser
syntax
.
commit
|
commitdiff
|
tree
2009-10-08
T
eem
u
Murtol
a
Better error han
d
l
ing in sel
e
c
tion pa
r
sing
.
commit
|
commitdiff
|
tree
2009-10-08
Teemu Murtola
R
e
o
rganizati
o
n of selection parser
.
commit
|
commitdiff
|
tree
2009-10-08
Teemu Murtola
Fi
x
ed/be
t
te
r
sele
c
tion name initialization
.
commit
|
commitdiff
|
tree
2009-10-08
Teemu Mu
r
tola
Selection output
t
o xv
g
r files
is now cleaner
.
commit
|
commitdiff
|
tree
2009-10-07
Tee
m
u
M
urtola
Renamed INT to INTEGER in se
l
e
c
tion
parser
.
commit
|
commitdiff
|
tree
2009-10-07
Teem
u
Murtola
CMake checks for regular expression support
.
commit
|
commitdiff
|
tree
2009-10-07
Te
e
mu Murtola
C
Mak
e
bu
i
ld
for selection
l
i
brary
.
commit
|
commitdiff
|
tree
2009-10-07
T
e
e
mu Murtola
Fixed
s
ome Window
s
build issues w
i
th sele
c
tions
.
commit
|
commitdiff
|
tree
2009-10-06
Teemu M
u
rtola
A
u
t
o
conf checks for regular exp
r
ession
s
upport
.
commit
|
commitdiff
|
tree
2009-10-06
Teemu Mu
r
tola
Don't use
POSIX fn
m
atch() for p
a
tte
r
n
mat
c
hing
.
commit
|
commitdiff
|
tree
2009-10-05
Teem
u
Murtola
Merge
b
ranc
h
'
m
aster
'
o
f
gi
t
@git
.
grom
a
cs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2009-10-05
T
eemu Murtola
Fixed memory han
d
ling iss
u
es in
selections
.
commit
|
commitdiff
|
tree
next