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Basic exclusion support for analysis nbsearch
2014-08-10
Teemu Murt
o
la
Basic excl
u
sion s
u
p
p
o
rt
for analysis
nbsearch
commit
|
commitdiff
|
tree
2014-08-09
Teemu Mur
t
ola
A
dd Selection::hasOnlyAt
o
ms()
commit
|
commitdiff
|
tree
2014-08-07
T
e
emu Murtola
Basic suppo
r
t
for 2D ne
i
ghb
o
r
hoo
d
s
e
a
r
c
h
for analysi
s
commit
|
commitdiff
|
tree
2014-08-03
Teem
u
M
urtola
Check fr
a
me
atom
c
ount before evaluating s
e
le
c
t
i
o
n
s
commit
|
commitdiff
|
tree
2014-07-31
Teem
u
Murt
o
la
M
e
r
ge "
M
erge release-5-0
into ma
s
ter"
commit
|
commitdiff
|
tree
2014-07-24
T
eemu Murtola
Do not
a
ctually
i
n
s
tall uniqueptr
.
h
commit
|
commitdiff
|
tree
2014-07-16
Teemu
M
urto
l
a
Fix HTML h
e
lp
and man p
a
ges for commands with das
h
es
commit
|
commitdiff
|
tree
2014-07-12
Teemu Murto
l
a
M
a
ke
g
m
x_node_
n
um/rank safer
commit
|
commitdiff
|
tree
2014-07-11
T
eemu Murt
o
la
F
ix H
T
ML links that c
o
ntain f
i
le extensions
commit
|
commitdiff
|
tree
2014-07-10
Teemu Murto
l
a
Bump SOVERSION
commit
|
commitdiff
|
tree
2014-07-09
Teemu M
u
rtol
a
Clean up gmx_header_config
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
M
e
rge release
-
5
-0 into master
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
Improv
e
mod
u
le dependency gr
a
ph la
y
ou
t
commit
|
commitdiff
|
tree
2014-07-09
Teemu Murtola
Module depen
d
ency cycle checker for 'doc
-
check'
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Remo
v
e P
C
A_QUIET
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Additiona
l
in
d
ex
g
roup
c
hecks fo
r
selections
commit
|
commitdiff
|
tree
2014-07-08
Te
e
mu Murtola
Clean up program
name h
a
ndling i
n
oenv
commit
|
commitdiff
|
tree
2014-07-08
Teemu
M
urtola
Improve FileNameOption error han
d
ling
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtol
a
Move GMX_CXX11
t
o
c
onfig
.
h
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Remove g
m
x_unique_ptr
f
rom options pu
b
l
ic headers
commit
|
commitdiff
|
tree
2014-07-08
T
eemu Murtola
Ma
k
e sele
c
tions ignore \r in inp
u
t
commit
|
commitdiff
|
tree
2014-07-08
Teemu Murtola
Remove selection he
l
p
f
rom
S
elec
t
ionCollection
commit
|
commitdiff
|
tree
2014-07-08
Teemu M
u
rtola
C
hange some gmx_uniqu
e
_
p
t
r
to shared_ptr i
n
public
.
.
.
commit
|
commitdiff
|
tree
2014-07-08
T
e
emu Mur
t
o
l
a
Move -de
b
u
g
t
o cm
d
line
m
odul
e
manager
.
cpp
commit
|
commitdiff
|
tree
2014-07-08
Teem
u
Murtola
Mak
e
doc-check pass again without
w
arning
s
commit
|
commitdiff
|
tree
2014-07-05
T
eemu Murtola
Merg
e
releas
e
-5-0 in
t
o
m
aster
commit
|
commitdiff
|
tree
2014-07-05
T
e
e
m
u Murtola
R
e
instantiat
e
u
nsorted
i
nd
e
x
group chec
k
commit
|
commitdiff
|
tree
2014-07-05
Teemu Murtola
Update some installation-re
l
ated docs
commit
|
commitdiff
|
tree
2014-07-01
Teem
u
Murtola
Adjust include dir
e
ctory order for some
corner cases
commit
|
commitdiff
|
tree
2014-06-30
Te
e
m
u
M
urtola
Merge releas
e
-5-0
into
mas
t
er
commit
|
commitdiff
|
tree
2014-06-29
T
e
emu Mur
t
o
l
a
R
e
move s
o
m
e
h
a
rd
c
ode
d
selection
s
tring
b
uff
e
rs
commit
|
commitdiff
|
tree
2014-06-28
Teemu Murto
l
a
Remove
overeager selectio
n
index group
ch
e
ck
commit
|
commitdiff
|
tree
2014-06-21
T
e
e
mu Mu
r
tol
a
Convert chec
k
point
.
c to C++ compila
t
ion
commit
|
commitdiff
|
tree
2014-06-15
Teemu M
u
rt
o
la
Convert gmx_re
s
iduetype_
t
to a non-pointer
commit
|
commitdiff
|
tree
2014-06-15
Teemu Murto
l
a
Remove unused fi
g
ures f
r
om sha
r
e
/
h
tml/
commit
|
commitdiff
|
tree
2014-06-07
T
e
e
mu Mur
t
ola
Cl
e
an
u
p FileNameOptionS
t
orage implementation
commit
|
commitdiff
|
tree
2014-06-07
Teemu Mur
t
ola
Improve (Sele
c
t
i
o
n
|FileName)O
p
tionManager
h
a
ndli
n
g
commit
|
commitdiff
|
tree
2014-06-07
T
eemu Mu
r
tola
R
ep
l
ace all c
o
mmand l
i
n
e
parsing with Options
commit
|
commitdiff
|
tree
2014-06-07
Teemu Murtola
Move residuetype hand
l
ing to its own file
.
commit
|
commitdiff
|
tree
2014-06-07
T
eemu Mur
t
ol
a
Remo
v
e
support for "old"
i
ndex
file format
commit
|
commitdiff
|
tree
2014-06-07
Tee
m
u M
u
r
tola
Move
in
d
e
x
.
*
t
o
topology/
commit
|
commitdiff
|
tree
2014-06-02
Teemu Murtola
Move atomprop
.
* to to
p
ology/
commit
|
commitdiff
|
tree
2014-05-31
Teemu Murtola
Move mtop
_
util
.
* and topsort
.
* to topology/
commit
|
commitdiff
|
tree
2014-05-29
Te
e
mu M
u
r
t
ola
Remove mo
r
e use
s
of type
d
efs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu
Mur
t
ola
Move
gene
r
a
l functions o
u
t
of typedefs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu Mur
t
o
la
Rem
o
ve some typedefs
.
h dependenc
i
e
s
commit
|
commitdiff
|
tree
2014-05-25
Te
e
mu Murtola
Move
t
ypes/topology
.
h t
o
topology/
commit
|
commitdiff
|
tree
2014-05-24
T
e
emu M
u
rto
l
a
Move types/idef
.
h to topology/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Murtola
Move types/
a
toms
.
h to
t
opo
l
ogy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu M
u
r
to
l
a
Move types/ishift
.
h to pbcutil/
commit
|
commitdiff
|
tree
2014-05-24
Teemu
M
ur
t
ola
Mov
e
i
nvblock
.
* to topol
o
gy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu M
u
rtola
Move types/block
.
h
to top
o
l
ogy/
commit
|
commitdiff
|
tree
2014-05-24
T
e
em
u
Murtol
a
Move symt
a
b
.
* to to
p
ology/
commit
|
commitdiff
|
tree
2014-05-24
Teem
u
M
u
r
to
l
a
Mer
g
e t
_
s
y
mtab into symta
b
.
h
commit
|
commitdiff
|
tree
2014-05-24
Teemu Murtola
Move
p
bc
.
* to
p
bcu
t
il
/
commit
|
commitdiff
|
tree
2014-05-22
Teemu Murtola
Move ci
n
vsq
r
tdata
.
c to mat
h
/ and
remove Fo
r
tran remnants
commit
|
commitdiff
|
tree
2014-05-22
Teemu Murtola
Fix static group list ind
i
ces
i
n selection
prompt
commit
|
commitdiff
|
tree
2014-05-22
Teem
u
Mu
r
t
o
la
Merge t_pbc definition into pbc
.
h
commit
|
commitdiff
|
tree
2014-05-21
Teemu Murtola
Move
m
s
hif
t
.
* t
o
pbcut
i
l/
commit
|
commitdiff
|
tree
2014-05-21
T
e
e
mu Murtola
Merge t_gra
p
h
def
i
n
ition
i
nto mshif
t
.
h
commit
|
commitdiff
|
tree
2014-05-20
Te
e
mu Murtola
Mo
v
e rmpbc
.
*
to pbcutil/
commit
|
commitdiff
|
tree
2014-05-18
T
eem
u
Murtola
C
l
ea
n
u
p
matio
.
*
commit
|
commitdiff
|
tree
2014-05-18
Teemu M
u
r
t
ola
Move 3dvie
w
.
* to programs/
v
iew/
commit
|
commitdiff
|
tree
2014-05-18
Teemu Murt
o
l
a
Cle
a
n
u
p mat
h
/
commit
|
commitdiff
|
tree
2014-05-17
T
eemu Murtola
More
e
l
a
b
o
rate
def
a
ul
t
h
andling for FileName
O
p
tion
commit
|
commitdiff
|
tree
2014-05-17
Teemu Murto
l
a
Unit tests for parse_
c
ommon
_
arg
s
(
)
f
il
e
o
p
t
i
ons
commit
|
commitdiff
|
tree
2014-05-14
Teemu
Murtola
Move physic
s
.
* to
m
a
th/units
.
*
commit
|
commitdiff
|
tree
2014-05-01
Tee
m
u
Mu
r
tola
Fi
x
in
c
orre
c
t limits in Flo
a
tOptionSto
r
a
g
e
commit
|
commitdiff
|
tree
2014-04-28
Teemu Murtola
M
o
v
e mtxio
.
* to fileio/
commit
|
commitdiff
|
tree
2014-04-27
Teemu
Murtol
a
Move
rvec and friends to math/vectypes
.
h
commit
|
commitdiff
|
tree
2014-04-27
Teemu Mu
r
t
ola
Mo
v
e 'real' defi
n
i
t
i
on to u
t
ilit
y
/real
.
h
commit
|
commitdiff
|
tree
2014-04-17
Teemu M
u
rto
l
a
Move v
e
c
.
h to math
/
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtol
a
Remove unused minvert
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teem
u
M
u
rt
o
la
F
i
x t
y
po in fatalerror
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtola
Move xv
g
r
.
* to
f
i
leio/
commit
|
commitdiff
|
tree
2014-04-16
Te
e
mu Murtola
Clean up xvgr
.
h
and viewit
.
h
usage
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtola
Remove sysst
u
ff
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtola
Remove sysstuff
.
h includes from
h
e
a
ders
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtola
Ref
a
ctor
g
mx
_
fatal()
commit
|
commitdiff
|
tree
2014-04-13
Teemu Murtola
Remove
unused shift
.
h
commit
|
commitdiff
|
tree
2014-04-13
Teemu Murtola
Rem
o
v
e utility -> fileio depen
d
encies
commit
|
commitdiff
|
tree
2014-04-13
Teemu Murtola
Clean up futil
.
*
commit
|
commitdiff
|
tree
2014-04-10
Teemu
M
urto
l
a
Cle
a
n up
an
d
f
ix i
s
sues in doc-
c
heck scripts
commit
|
commitdiff
|
tree
2014-04-10
Teemu Murtola
M
ove part o
f
types
/
simple
.
h to utility/
commit
|
commitdiff
|
tree
2014-04-10
Tee
m
u Murt
o
la
Remove ut
i
lit
y
/ dependencies on net
w
o
r
k
.
h an
d
ma
i
n
.
h
commit
|
commitdiff
|
tree
2014-04-08
Teemu Murtola
Remo
v
e
s
ome uti
l
ity
-> legacyheaders depend
e
ncies
commit
|
commitdiff
|
tree
2014-04-08
T
e
emu M
u
rtola
Versi
o
n bump for
p
os
t
-5
.
0 devel
o
pment
commit
|
commitdiff
|
tree
2014-04-08
Teem
u
Murtola
Move
gmx_fatal
.
* t
o
ut
i
lity/fatalerror
.
*
commit
|
commitdiff
|
tree
2014-04-07
T
eemu Murt
o
la
Doxyge
n
documentation for
v
ersion
.
h
commit
|
commitdiff
|
tree
2014-04-04
Teemu M
u
rtola
Rem
o
ve ancient
S
GI-sp
e
c
if
i
c code
commit
|
commitdiff
|
tree
2014-04-04
Teemu Murtola
Cl
e
an up g
m
x
_
fatal
.
*
commit
|
commitdiff
|
tree
2014-04-02
Teem
u
Murtola
Move
string2
.
*
to utility/cstringut
i
l
.
*
commit
|
commitdiff
|
tree
2014-04-01
Te
e
mu Mur
t
ola
Move
s
malloc
.
h t
o
ut
i
lity/
commit
|
commitdiff
|
tree
2014-03-31
Teemu Mu
r
tola
Re
m
ove #include <
.
.
.
> fo
r
local fil
e
s
i
n
g
mx-view
commit
|
commitdiff
|
tree
2014-03-31
Teemu
M
u
r
tola
Clean up small
o
c
.
h
commit
|
commitdiff
|
tree
2014-03-31
Teemu Murtola
M
ove
s
ome mat
h
headers away
from legacyhead
e
rs/
commit
|
commitdiff
|
tree
2014-03-31
T
eemu Mur
t
ola
Remove dep
e
n
dency on commandline/ from
o
en
v
.
cp
p
commit
|
commitdiff
|
tree
2014-03-30
Teemu Murtola
Cle
a
n
u
p stri
n
g2
.
h
-related i
n
cludes
commit
|
commitdiff
|
tree
2014-03-29
Teemu Murtola
Optimize intermodule dependencies
commit
|
commitdiff
|
tree
2014-03-29
Teemu M
u
rtola
I
m
prove ve
r
sion i
n
formation ha
n
dling
commit
|
commitdiff
|
tree
next