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Move residuetype handling to its own file.
2014-06-07
Teemu
M
urtola
Move residu
e
ty
p
e handling to its own file
.
commit
|
commitdiff
|
tree
2014-06-07
Teemu
M
u
r
t
ola
Remove
s
upport
for "o
l
d" index
f
ile fo
r
m
a
t
commit
|
commitdiff
|
tree
2014-06-07
Teem
u
Murtol
a
M
ove i
n
d
e
x
.
*
to topology/
commit
|
commitdiff
|
tree
2014-06-02
Teem
u
Murtola
Mov
e
atompr
o
p
.
*
t
o
topology/
commit
|
commitdiff
|
tree
2014-05-31
Teemu
M
urtola
M
o
ve mtop_util
.
* and topsort
.
* t
o
topology/
commit
|
commitdiff
|
tree
2014-05-29
Teemu Murtol
a
Remove m
o
re us
e
s of t
y
p
edef
s
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu
M
urtol
a
Move gener
a
l
funct
i
o
ns out
o
f
typed
e
fs
.
h
commit
|
commitdiff
|
tree
2014-05-25
Teemu Mu
r
tola
Remove some typ
e
defs
.
h d
e
pendencies
commit
|
commitdiff
|
tree
2014-05-25
Tee
m
u Murtola
Move types/topology
.
h to topol
o
gy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Murto
l
a
Move types/idef
.
h
t
o
topolo
g
y/
commit
|
commitdiff
|
tree
2014-05-24
Tee
m
u Murtola
M
o
ve types/atoms
.
h to
topology/
commit
|
commitdiff
|
tree
2014-05-24
T
eemu Murtola
M
o
ve
t
ypes/ishift
.
h t
o
pbcutil/
commit
|
commitdiff
|
tree
2014-05-24
Teem
u
Mu
r
tola
Move inv
b
lock
.
* to topology/
commit
|
commitdiff
|
tree
2014-05-24
Teemu M
u
rtol
a
Move
t
ype
s
/block
.
h
to topol
o
gy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Murtola
Move symtab
.
* to top
o
logy/
commit
|
commitdiff
|
tree
2014-05-24
Teemu Mu
r
t
ola
Merge t_sy
m
tab into
s
y
mtab
.
h
commit
|
commitdiff
|
tree
2014-05-24
T
eemu Mu
r
t
o
la
M
ove pbc
.
* to pbcutil
/
commit
|
commitdiff
|
tree
2014-05-22
Teemu Mur
t
ola
Mo
v
e cinvsqr
t
d
ata
.
c to math
/
and remove F
o
rtr
a
n remnants
commit
|
commitdiff
|
tree
2014-05-22
Teemu Murtola
F
i
x static
g
roup l
i
s
t
indices in selection prompt
commit
|
commitdiff
|
tree
2014-05-22
Teemu Murtola
Merge t_pbc definition into pbc
.
h
commit
|
commitdiff
|
tree
2014-05-21
T
ee
m
u Murt
o
la
M
ove
m
shif
t
.
*
to pbcutil/
commit
|
commitdiff
|
tree
2014-05-21
T
e
emu Murtola
Merge
t
_graph defini
t
ion into mshift
.
h
commit
|
commitdiff
|
tree
2014-05-20
T
eemu Murtola
Move rmpb
c
.
* to pbcutil/
commit
|
commitdiff
|
tree
2014-05-18
Teem
u
Mu
r
tola
C
l
ean up matio
.
*
commit
|
commitdiff
|
tree
2014-05-18
Teemu
M
urtol
a
M
o
ve 3
d
vi
e
w
.
*
t
o programs/
v
iew/
commit
|
commitdiff
|
tree
2014-05-18
Teem
u
Murtola
Clea
n
up
math/
commit
|
commitdiff
|
tree
2014-05-17
Teemu Murtola
More elaborate
d
efau
l
t handling
for FileNameOptio
n
commit
|
commitdiff
|
tree
2014-05-17
Teemu Murtola
Un
i
t tests for parse_common_args() file options
commit
|
commitdiff
|
tree
2014-05-14
Teemu Murt
o
la
Move p
h
ysics
.
* to math/units
.
*
commit
|
commitdiff
|
tree
2014-05-01
Teem
u
Murtola
F
i
x i
n
corr
e
ct
lim
i
ts in Floa
t
Op
t
ionSt
o
rage
commit
|
commitdiff
|
tree
2014-04-28
Teemu Murtola
Move mt
x
i
o
.
* to fileio/
commit
|
commitdiff
|
tree
2014-04-27
Teemu Murto
l
a
Move rvec
and friends
t
o
m
ath/vect
y
pes
.
h
commit
|
commitdiff
|
tree
2014-04-27
Teemu Mur
t
ola
Move '
r
eal' def
i
ni
t
ion to
utility/
r
eal
.
h
commit
|
commitdiff
|
tree
2014-04-17
Te
e
mu Murtola
Move vec
.
h to mat
h
/
commit
|
commitdiff
|
tree
2014-04-16
Teemu Mu
r
tola
Remove unused minvert
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu Murtola
Fix typo
in fatal
e
r
r
or
.
h
commit
|
commitdiff
|
tree
2014-04-16
Tee
m
u
M
urtola
M
o
ve xvg
r
.
* t
o
f
i
l
eio/
commit
|
commitdiff
|
tree
2014-04-16
T
e
emu M
u
rtola
Clea
n
u
p
xvgr
.
h and
v
i
ewit
.
h usag
e
commit
|
commitdiff
|
tree
2014-04-16
Teemu Mu
r
tola
Remo
v
e sysstuff
.
h
commit
|
commitdiff
|
tree
2014-04-16
Teemu
M
u
rtola
Remove sy
s
stuff
.
h incl
u
de
s
from headers
commit
|
commitdiff
|
tree
2014-04-16
Teemu Mu
r
tola
R
e
factor g
m
x_fata
l
()
commit
|
commitdiff
|
tree
2014-04-13
T
eemu Murtola
Remove unused shift
.
h
commit
|
commitdiff
|
tree
2014-04-13
Teemu Murtola
Remove
u
tility ->
f
ileio depende
n
ci
e
s
commit
|
commitdiff
|
tree
2014-04-13
Teem
u
Murtol
a
Cl
e
an up
futil
.
*
commit
|
commitdiff
|
tree
2014-04-10
Teemu Murtola
Clean up and fix issu
e
s in doc-chec
k
scripts
commit
|
commitdiff
|
tree
2014-04-10
Teemu Murtola
Move part of ty
p
es/sim
p
le
.
h
to
u
til
i
ty/
commit
|
commitdiff
|
tree
2014-04-10
T
e
em
u
Murt
o
la
Remove utility
/
depend
e
ncies on n
e
twork
.
h and m
a
i
n
.
h
commit
|
commitdiff
|
tree
2014-04-08
Tee
m
u Murtola
Remove so
m
e
utility -> legacyheaders d
e
p
endencies
commit
|
commitdiff
|
tree
2014-04-08
Teemu Murtola
Versi
o
n
bump fo
r
post
-
5
.
0
d
evelopment
commit
|
commitdiff
|
tree
2014-04-08
Teemu Murtola
M
ove gmx_fatal
.
* to utility/fatale
r
ror
.
*
commit
|
commitdiff
|
tree
2014-04-07
Te
e
mu
Murtola
Doxygen documentati
o
n for version
.
h
commit
|
commitdiff
|
tree
2014-04-04
Tee
m
u M
u
rtola
Re
m
ove ancien
t
SGI-specif
i
c co
d
e
commit
|
commitdiff
|
tree
2014-04-04
T
eemu Murtola
Clean up gmx_
f
at
a
l
.
*
commit
|
commitdiff
|
tree
2014-04-02
Teemu Mu
r
tola
Move string2
.
* to utilit
y
/c
s
tringutil
.
*
commit
|
commitdiff
|
tree
2014-04-01
Teem
u
Murtola
Move s
m
a
l
loc
.
h to utility/
commit
|
commitdiff
|
tree
2014-03-31
Teem
u
Murtola
Remove #includ
e
<
.
.
.
> for local files in
gmx-view
commit
|
commitdiff
|
tree
2014-03-31
T
e
emu M
u
rtola
C
l
e
an up sm
a
lloc
.
h
commit
|
commitdiff
|
tree
2014-03-31
T
e
emu Murtola
Move
s
ome math headers away from lega
c
yheaders/
commit
|
commitdiff
|
tree
2014-03-31
Teemu Murtola
R
e
m
o
v
e
depend
e
ncy on commandli
n
e
/ from
oenv
.
cp
p
commit
|
commitdiff
|
tree
2014-03-30
Teemu Murtola
C
l
ean up string
2
.
h
-
related inc
l
udes
commit
|
commitdiff
|
tree
2014-03-29
Teemu
M
urtola
Optimize intermodule dependencies
commit
|
commitdiff
|
tree
2014-03-29
Te
e
mu Murtola
Improve vers
i
on info
r
mation handling
commit
|
commitdiff
|
tree
2014-03-29
Teemu Murtola
Better
i
nclude dependency gra
p
h g
e
ner
a
tor
commit
|
commitdiff
|
tree
2014-03-27
Teemu
M
urtol
a
Mo
v
e
include dependency checks
to doc-c
h
ec
k
commit
|
commitdiff
|
tree
2014-03-27
Tee
m
u
M
u
rtola
B
e
tte
r
aut
o
mated Doxygen do
c
umen
t
ation checker
commit
|
commitdiff
|
tree
2014-03-27
Teemu Murtola
Misc
.
Doxygen fi
x
es
commit
|
commitdiff
|
tree
2014-03-27
Teemu Murtola
Move
thread_
m
pi to sr
c
/external/
commit
|
commitdiff
|
tree
2014-03-24
Teemu
M
urtola
Remove gmxprepro
c
ess f
r
om include pat
h
commit
|
commitdiff
|
tree
2014-03-18
Teem
u
Murtola
Remove interactive
help
from co
r
e s
e
lection parser
commit
|
commitdiff
|
tree
2014-03-18
Teemu Mur
t
ola
Improv
e
interact
i
ve selectio
n
input
commit
|
commitdiff
|
tree
2014-03-17
Teemu M
u
rto
l
a
Upd
a
t
e
m
a
nual an
a
ly
s
i
s sect
i
on
commit
|
commitdiff
|
tree
2014-03-11
Teemu Murtola
Fix misc
.
D
oxy
g
en issue
s
commit
|
commitdiff
|
tree
2014-03-08
Teemu Murto
l
a
R
e
move some unnecessary declarations
commit
|
commitdiff
|
tree
2014-03-02
T
eemu Murtola
Fix incorrect grid cell size
in g_sas -nopbc
commit
|
commitdiff
|
tree
2014-03-01
Te
e
m
u Murtol
a
Move
d
efault library p
a
th search to pr
o
gram c
o
n
t
ext
commit
|
commitdiff
|
tree
2014-02-28
Teemu Murtola
R
esi
d
ual SI
M
D
D
oxy
g
en
improvements
commit
|
commitdiff
|
tree
2014-02-28
T
eemu
M
urtola
Misc
.
Doxyg
e
n
c
onfiguration
c
hanges
commit
|
commitdiff
|
tree
2014-02-28
Teemu Murtola
Co
n
vert gmx-sas to
th
e
C
+
+
f
ramework
commit
|
commitdiff
|
tree
2014-02-28
Teemu Murtola
Ad
d
support for non-uniform X axis in a
r
ray data
commit
|
commitdiff
|
tree
2014-02-27
Teemu Murtola
I
m
prove s
u
pport
f
or
data sets in C++ to
o
ls
commit
|
commitdiff
|
tree
2014-02-27
T
ee
m
u
Murto
l
a
Improve floating point comparisons in unit t
e
s
t
s
commit
|
commitdiff
|
tree
2014-02-26
Te
e
m
u
M
urtola
Misc
.
Doxygen build system improvements
commit
|
commitdiff
|
tree
2014-02-26
Teemu Murtola
Fix
GMX_PR
I
u32 and GMX_PRIu64 for
M
S
VC
commit
|
commitdiff
|
tree
2014-02-20
T
eemu Murtola
Add documenta
t
ion for us
i
n
g Doxyge
n
commit
|
commitdiff
|
tree
2014-02-16
T
e
emu
Murt
o
l
a
Imp
r
ove m
a
n page
formatting
slightly
commit
|
commitdiff
|
tree
2014-02-16
Teemu Murtola
Fix defa
u
lt enum v
a
l
ues in help
o
utput
commit
|
commitdiff
|
tree
2014-02-15
Teemu Murtola
Fix
s
o
m
e
broken
links in HTML
pa
g
e
s
commit
|
commitdiff
|
tree
2014-02-09
Teemu
M
urtola
S
hell com
p
letion
s
thr
o
ugh Options
commit
|
commitdiff
|
tree
2014-02-09
T
e
em
u
M
u
r
tola
Make
'
g
m
x -h' inv
a
riant wrt
.
pr
o
v
i
ded o
p
tions
commit
|
commitdiff
|
tree
2014-02-09
Teemu M
u
rtola
Remov
e
old he
l
p
f
ormatting code
commit
|
commitdiff
|
tree
2014-02-09
Teemu Murtola
Ma
k
e
FileNa
m
e
O
p
tion behave more like old filen
m
parser
commit
|
commitdiff
|
tree
2014-02-09
Tee
m
u Murtola
Implement synopsis for h
e
lp output
commit
|
commitdiff
|
tree
2014-02-09
Teemu Murtola
Refa
c
tor new h
e
lp formatting implementation
commit
|
commitdiff
|
tree
2014-02-08
Teemu Murt
o
l
a
Fix
&
update docs for GMX_TEST_OPTIONS
commit
|
commitdiff
|
tree
2014-02-06
Teemu Mu
r
tola
Fix bu
i
ld of s
h
a
re/t
e
mpl
a
te when installed
commit
|
commitdiff
|
tree
2014-02-03
Teemu
Murtola
Merge "Merge
r
elease-4-6 into master
"
commit
|
commitdiff
|
tree
2014-02-03
Teemu Murtola
Optimize Dox
y
ge
n
b
u
ild
commit
|
commitdiff
|
tree
2014-02-02
Teem
u
Murtola
Fix se
g
fault in
'gmx -h'
commit
|
commitdiff
|
tree
2014-02-02
Teemu Mur
t
ola
Get r
i
d of src/progra
m
s/gmx/
commit
|
commitdiff
|
tree
2014-02-02
Teemu
M
urtola
S
i
mplif
y
O
p
tions:
:
setDescr
i
p
tion() u
s
a
g
e
commit
|
commitdiff
|
tree
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