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Bumped version to 1.7.1, to be used in GROMACS 5.1
2014-12-08
Magnus Lu
n
d
b
org
Bumped versio
n
to 1
.
7
.
1, to be used in GROM
A
CS 5
.
1
commit
|
commitdiff
|
tree
2014-12-08
Magnu
s
Lundborg
M
a
de fu
n
c
t
ion arguments
cons
t
where relevan
t
.
commit
|
commitdiff
|
tree
2014-12-03
Magnus Lundb
o
rg
Fi
x
ed c
o
mpiler wa
r
nings
.
commit
|
commitdiff
|
tree
2014-12-02
Magnus Lundborg
Up
d
ate the number of frames i
n
t
h
e current
f
ram
e
set
.
commit
|
commitdiff
|
tree
2014-12-02
Magnus Lundborg
Re
p
lace a
l
l 'WI
N
32
A
ND NOT CYGWI
N
' with '
W
IN3
2
'
.
commit
|
commitdiff
|
tree
2014-10-24
Magnus
L
undborg
F
ix MingW build
.
commit
|
commitdiff
|
tree
2014-10-23
Ma
g
nus Lundbo
r
g
Fi
x
ed bug rea
d
ing non-particle dat
a
.
commit
|
commitdiff
|
tree
2014-10-23
M
agnus Lundborg
Added tn
g
_ut
i
l
_
n
um_frames_with
_
data
_
of_blo
c
k_i
d
_get(
)
commit
|
commitdiff
|
tree
2014-10-03
M
a
g
nu
s
Lundborg
More detailed
o
utput when
s
ome tests fail
.
commit
|
commitdiff
|
tree
2014-10-03
Magnus
L
undborg
Added change log for v
1
.
7
commit
|
commitdiff
|
tree
2014-10-03
Magnu
s
Lundborg
Fix
i
nput file fo
r
gener
a
ting
d
ocumentation
.
commit
|
commitdiff
|
tree
2014-10-03
Mag
n
us Lundb
o
rg
Use @brief in documentation of static fun
c
tion
s
.
commit
|
commitdiff
|
tree
2014-10-03
M
a
g
nus Lundbor
g
Version bumped to 1
.
7
.
0
commit
|
commitdiff
|
tree
2014-10-03
Magnus Lund
b
o
r
g
Added
change log for v 1
.
7
commit
|
commitdiff
|
tree
2014-10-03
Mag
n
us
Lundborg
Fix input file
for generati
n
g doc
u
men
t
at
i
o
n
.
commit
|
commitdiff
|
tree
2014-10-03
M
agnus Lun
d
b
org
Use
@
brief in documentation
of
stati
c
function
s
.
commit
|
commitdiff
|
tree
2014-09-26
Magnus Lu
n
dborg
Added tng_util_num_f
r
ames_with_data_of_
b
l
ock_i
d
_
g
et()
commit
|
commitdiff
|
tree
2014-09-26
M
agnu
s
Lu
n
dborg
Combine
d
two data block adding function
s
.
commit
|
commitdiff
|
tree
2014-09-25
Magnus
L
undborg
Mad
e
a
fu
n
ction to
a
ppend remaining
d
ata to md5
.
commit
|
commitdiff
|
tree
2014-09-24
Magnu
s
Lundbor
g
Set t
h
e input
f
i
l
e
len in
t
n
g_input_file_i
n
i
t
commit
|
commitdiff
|
tree
2014-09-24
Magnus
Lundb
o
rg
Ad
d
e
d new test (copy
t
rajectory container and m
o
l
s
ys)
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lu
n
dborg
Improved testi
n
g output
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lund
b
org
Remov
e
d some unused (com
m
ente
d
out) c
o
de
.
commit
|
commitdiff
|
tree
2014-09-24
M
a
g
n
us Lund
b
org
C
o
mbined data interval r
e
trieva
l
f
u
nctions
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lundbo
r
g
Combined two
data
v
ector ret
r
i
eval func
t
ion
s
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus L
u
nd
b
o
r
g
Added not
i
f
i
cation that t
w
o
fu
n
ctio
n
s
a
r
e obs
o
l
ete
.
commit
|
commitdiff
|
tree
2014-09-24
M
agnus
Lundbo
r
g
Only free
mem
o
r
y
onc
e
.
commit
|
commitdiff
|
tree
2014-09-24
M
a
gnus
L
undbo
r
g
Combine
d
two obsolete
data retrieval function
s
.
commit
|
commitdiff
|
tree
2014-09-24
M
a
gnus Lundborg
C
o
mbined the two fra
m
e data wr
i
ting
funct
i
on
s
.
commit
|
commitdiff
|
tree
2014-09-24
M
a
gnus Lundbo
r
g
Me
r
ged tng
_
par
t
i
c
le_data_block
_
write and t
n
g
_data_blo
c
k_writ
e
.
commit
|
commitdiff
|
tree
2014-09-19
Magnus Lundborg
Merged
t
n
g
_
p
arti
c
l
e
_dat
a
_read and tng_data_read
.
commit
|
commitdiff
|
tree
2014-09-19
Magnus Lund
b
o
rg
Us
e
onl
y
one vari
a
ble i
n
s
tead of two for tng_
d
ata_p
.
commit
|
commitdiff
|
tree
2014-09-19
Magnu
s
L
u
ndborg
Im
p
roved
che
c
ks to
verify
t
hat rea
d
d
a
t
a
is co
r
rec
t
.
commit
|
commitdiff
|
tree
2014-09-18
Magnus Lundborg
Added a
dependency flag in the tng_data
struct
.
commit
|
commitdiff
|
tree
2014-09-18
Magnus Lundborg
M
erge the two data block structs into one
.
commit
|
commitdiff
|
tree
2014-09-17
Magnus Lu
n
d
b
org
Turne
d
repeated
c
o
d
e i
n
t
o
fun
c
tions
.
commit
|
commitdiff
|
tree
2014-09-11
M
agnus Lundborg
F
i
xed IC
C
war
n
i
n
g
s
commit
|
commitdiff
|
tree
2014-08-29
Magnus Lundborg
I
mproved check if
ZLIB is
available b
e
fore
u
sing it
.
commit
|
commitdiff
|
tree
2014-08-26
M
a
gnus Lundb
o
r
g
F
ix tng_u
t
il_gen
e
ric_double_write()
commit
|
commitdiff
|
tree
2014-08-25
Magnus Lundborg
Initiali
z
e
t
n
g co
m
pressions algorithm c
o
mp
l
etely
.
commit
|
commitdiff
|
tree
2014-08-25
Mag
n
u
s
Lundb
o
rg
Im
p
roved
t
e
sts
commit
|
commitdiff
|
tree
2014-08-22
M
a
gnus Lund
b
o
r
g
Remove
d
unused varia
b
l
e
to fix warnin
g
.
commit
|
commitdiff
|
tree
2014-08-22
Magnu
s
Lundborg
Fix
Z
LIB usage
.
commit
|
commitdiff
|
tree
2014-08-21
Magn
u
s Lu
n
dbor
g
Moved defi
n
es to support large files into t
n
g_io
.
c
.
commit
|
commitdiff
|
tree
2014-08-21
M
agnus Lund
b
org
Add
e
d more sophisticated function
s
to ge
t
n frames
.
.
.
commit
|
commitdiff
|
tree
2014-08-20
Magnu
s
Lun
d
borg
R
e
move
d
c
o
mpiling
o
f tng_io_gen_versi
o
ned_output
.
c
commit
|
commitdiff
|
tree
2014-08-11
Magnus Lundborg
Chec
k
that the data typ
e
is float as expected
.
commit
|
commitdiff
|
tree
2014-07-23
Magnu
s
Lundborg
I
mproved TNG compres
s
ion
speed
.
commit
|
commitdiff
|
tree
2014-07-21
M
a
g
nus Lundborg
Impro
v
ed testing
o
f
TNG functions
.
commit
|
commitdiff
|
tree
2014-07-17
Magnus Lundborg
R
ewrite of file i/o
.
commit
|
commitdiff
|
tree
2014-07-01
M
a
gnus
L
undborg
Fix
b
u
g
causin
g
read
i
ng next fr
a
me not to stop
.
commit
|
commitdiff
|
tree
2014-07-01
Magnus Lundbo
r
g
Adjust
incl
u
de d
i
rect
o
ry for some corner
c
ases
commit
|
commitdiff
|
tree
2014-06-30
Magnus Lundb
o
r
g
Fixe
d
tng_num_frame_set
s
_get()
commit
|
commitdiff
|
tree
2014-06-26
Magnus Lund
b
org
Vers
i
on 1
.
6 of the T
N
G librar
y
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundborg
Raised mini
m
u
m cma
k
e ve
r
sion
to 2
.
8
.
8
.
commit
|
commitdiff
|
tree
2014-06-19
M
a
gnus Lund
b
org
Use CMAKE_IN
S
T
ALL_L
I
BD
I
R as location for install
a
tion
.
commit
|
commitdiff
|
tree
2014-06-19
Magnu
s
Lundborg
When
adding a b
o
nd do not automatical
l
y check if it
.
.
.
commit
|
commitdiff
|
tree
2014-06-18
Magnus Lundborg
Bug fix
.
D
id
n
ot lo
o
k th
r
ough all chains
.
commit
|
commitdiff
|
tree
2014-06-18
Magnus Lundbo
r
g
Fix
e
d
another etern
a
l loo
p
.
commit
|
commitdiff
|
tree
2014-06-18
Magnus Lundborg
Fixe
d
loop goi
n
g
on forever
.
commit
|
commitdiff
|
tree
2014-06-17
Magnus
Lund
b
or
g
Fixed
s
ome compilation warnin
g
s
.
commit
|
commitdiff
|
tree
2014-06-17
Magnus Lu
n
dbor
g
Some c
h
ecks to handl
e
unrea
d
a
ble block headers
.
commit
|
commitdiff
|
tree
2014-06-17
Magnu
s
Lundborg
Fixe
d
a
compilation war
n
ing w
h
en
!USE_ZLIB
.
commit
|
commitdiff
|
tree
2014-06-16
Magnus Lundborg
M
ig
r
ating
data block
s
.
commit
|
commitdiff
|
tree
2014-06-16
Magnus Lund
b
o
r
g
Fixed compilation w
a
rnings
.
commit
|
commitdiff
|
tree
2014-06-16
Magnus Lundb
o
rg
Migrat
i
ng data
b
loc
k
s [WIP]
.
commit
|
commitdiff
|
tree
2014-06-11
Magnus L
u
n
dborg
Chec
k
to en
s
ure
not reading past end of f
i
le
.
commit
|
commitdiff
|
tree
2014-05-28
M
agnus Lundborg
Rer
e
ad frame
set after gett
i
ng stride length
.
commit
|
commitdiff
|
tree
2014-05-28
Magnus L
u
nd
b
o
r
g
Handle one
f
r
a
me frame
s
ets when reading data
.
commit
|
commitdiff
|
tree
2014-05-28
Magnus Lundborg
More work with migrating data blocks
.
WI
P
.
commit
|
commitdiff
|
tree
2014-05-05
Magnus
L
u
ndborg
Chec
k
if number of written f
r
am
e
s
s
houl
d
b
e
updated
.
commit
|
commitdiff
|
tree
2014-04-15
M
agnus Lu
n
dborg
Imp
r
oved
a
dding to, and finding
i
n
,
mole
c
ule system
commit
|
commitdiff
|
tree
2014-04-14
Magnus Lundborg
Functions f
o
r migrating
data b
l
o
cks
.
"Unrev
e
r
sed
"
for
.
.
.
commit
|
commitdiff
|
tree
2014-03-11
Magnu
s
L
u
ndborg
I
ns
t
a
l
l t
n
g
_
io_fwd
.
h
a
s well
when
i
nstalling
.
commit
|
commitdiff
|
tree
2014-03-04
Magn
u
s
Lundborg
Updated path to tng header files
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus Lundborg
M
odify th
e
option to specify if
Z
LIB should be used
.
commit
|
commitdiff
|
tree
2014-02-19
Ma
g
nus
Lundborg
F
i
xed some warnings about uninitia
l
ized
v
a
riables
.
commit
|
commitdiff
|
tree
2014-02-13
M
a
gnus Lundborg
Improved compil
e
r checks for
s
etting warnin
g
f
lags
.
commit
|
commitdiff
|
tree
2014-02-12
M
agnus Lundborg
Re
m
ove
O
penMP option
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus
L
und
b
or
g
Fix
e
d some c
l
ang
w
ar
n
ings
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus Lundborg
Open
f
iles in binar
y
mode to f
i
x bug
on Win
d
ows
.
commit
|
commitdiff
|
tree
2014-01-21
Magnus
L
u
ndborg
Updated change
l
o
g
.
commit
|
commitdiff
|
tree
2014-01-21
Magnu
s
Lundborg
Bump version
number
.
A
d
ded changes
t
o cha
n
ge log
.
commit
|
commitdiff
|
tree
2014-01-21
Magn
u
s Lundborg
Make finding zlib
f
ail quietl
y
.
commit
|
commitdiff
|
tree
2014-01-14
M
agnus L
u
ndbor
g
More
improvements to reading next fram
e
.
commit
|
commitdiff
|
tree
2014-01-14
M
agn
u
s Lundborg
I
m
pr
o
ve
d
reading next frame
.
commit
|
commitdiff
|
tree
2014-01-14
M
a
gnu
s
L
undb
o
rg
One
m
ore
i
n
c
lud
e
path
f
i
x
ed
.
commit
|
commitdiff
|
tree
2014-01-14
Magnus Lundborg
Use relative path
s
for includes
.
commit
|
commitdiff
|
tree
2014-01-13
Magnus Lundb
o
rg
Fixed some warn
i
ngs
.
Still
n
eeds
to f
i
x tng_partic
l
e_d
a
ta_va
.
.
.
commit
|
commitdiff
|
tree
2014-01-13
Mag
n
us Lundb
o
r
g
Some fixes in tng_traje
c
tory_init_fro
m
_s
r
c()
commit
|
commitdiff
|
tree
2014-01-13
Magnus L
u
ndb
o
rg
R
eset
c
urr
e
n
t fr
a
m
e
s
e
t
f
ile pos after counting fram
e
.
.
.
commit
|
commitdiff
|
tree
2014-01-13
Ma
g
nus Lundborg
F
ix to la
s
t commit
.
commit
|
commitdiff
|
tree
2014-01-13
Magnu
s
Lundborg
Reset the
current frame se
t
after c
o
unting
t
h
e number
.
.
.
commit
|
commitdiff
|
tree
2014-01-13
Magnus Lundborg
New static f
u
nction for reading data
b
l
ock meta
d
ata
.
commit
|
commitdiff
|
tree
2014-01-10
Magnus Lun
d
b
org
Fix
e
d bug in name comparisons
.
commit
|
commitdiff
|
tree
2014-01-10
Magnu
s
Lundborg
Do
not
auto
m
atically c
l
ear part
i
c
l
e mappings when
adding
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
Magnus Lund
b
o
r
g
F
urth
e
r improvements on implicit
particles
.
commit
|
commitdiff
|
tree
2014-01-08
Ma
g
nus
L
u
n
dborg
Improved
m
o
lecu
l
e handlin
g
(s
e
t num particle
s
a
nd n
u
m
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
M
agnus
L
u
ndborg
More fix
e
s to
av
o
id red
e
f
i
n
i
tion of PRId6
4
.
commit
|
commitdiff
|
tree
2014-01-08
M
agnu
s
L
u
ndborg
Better
handling of
i
n
ttype
s
.
h
commit
|
commitdiff
|
tree
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