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Bumped version to 1.7.1, to be used in GROMACS 5.1
2014-12-08
Magnus Lundborg
Bumpe
d
ve
r
sion to 1
.
7
.
1, to be us
e
d in
G
ROMACS 5
.
1
commit
|
commitdiff
|
tree
2014-12-08
Magnus Lund
b
org
Made
funct
i
on
argume
n
ts co
n
st wh
e
re releva
n
t
.
commit
|
commitdiff
|
tree
2014-12-03
Magnus Lu
n
dborg
Fixed comp
i
l
e
r warnings
.
commit
|
commitdiff
|
tree
2014-12-02
Magnus L
u
ndborg
Update
the number of fr
a
mes in t
h
e
c
urrent frame set
.
commit
|
commitdiff
|
tree
2014-12-02
Magnus
L
undbor
g
Re
p
lace
a
ll 'WIN32
A
N
D
NO
T
CYGWIN' w
i
th 'WIN32'
.
commit
|
commitdiff
|
tree
2014-10-24
Magnus Lundbo
r
g
Fi
x
MingW bu
i
l
d
.
commit
|
commitdiff
|
tree
2014-10-23
M
a
g
n
u
s
L
undborg
Fi
x
e
d bug
read
i
ng n
o
n-particle d
a
ta
.
commit
|
commitdiff
|
tree
2014-10-23
Magn
u
s
Lundborg
Added tng_
u
til_num
_
f
ra
m
e
s
_with
_
data_of_bloc
k
_
id
_
get()
commit
|
commitdiff
|
tree
2014-10-03
Mag
n
u
s
Lundbor
g
Mor
e
d
etai
l
ed
o
utput
when som
e
t
ests fail
.
commit
|
commitdiff
|
tree
2014-10-03
Magnus Lundborg
Added c
h
ange log
f
or
v
1
.
7
commit
|
commitdiff
|
tree
2014-10-03
Magnus Lundborg
F
i
x
input file for genera
t
ing d
o
c
umentation
.
commit
|
commitdiff
|
tree
2014-10-03
Magnus Lun
d
borg
Us
e
@
b
r
i
e
f
in documentation of sta
t
ic function
s
.
commit
|
commitdiff
|
tree
2014-10-03
Magnus
L
und
b
o
rg
Vers
i
on
b
u
mped to 1
.
7
.
0
commit
|
commitdiff
|
tree
2014-10-03
Magnus Lundborg
A
d
ded
c
hang
e
log
f
or v 1
.
7
commit
|
commitdiff
|
tree
2014-10-03
M
agnus
Lundbo
r
g
Fix input file
f
or
generating
d
ocumentation
.
commit
|
commitdiff
|
tree
2014-10-03
Ma
g
nus Lun
d
bo
r
g
U
se @brie
f
in do
c
umentation of st
a
tic functions
.
commit
|
commitdiff
|
tree
2014-09-26
Magnus Lundborg
A
dded tng_
u
til_
n
um_frame
s
_with_dat
a
_of_block_id
_
get()
commit
|
commitdiff
|
tree
2014-09-26
Magnus Lundb
o
rg
Combi
n
e
d
two data block adding functions
.
commit
|
commitdiff
|
tree
2014-09-25
Mag
n
us
Lund
b
org
M
a
de
a function
to append re
m
ain
i
n
g da
t
a
t
o md5
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus
Lundborg
Set t
h
e in
p
ut file len in t
n
g_input_fil
e
_init
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lund
b
org
Added new test (
c
opy tra
j
ec
t
o
r
y container and mol
s
ys)
commit
|
commitdiff
|
tree
2014-09-24
Magnus
L
undb
o
rg
Impr
o
ve
d
testi
n
g output
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus
L
u
n
d
borg
Removed some unused (c
o
mmented out) code
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lundbor
g
Combi
n
ed da
t
a interval retrieval func
t
ions
.
commit
|
commitdiff
|
tree
2014-09-24
Magn
u
s Lundbo
r
g
Combi
n
e
d
t
w
o data vec
t
or retrieval
f
u
nct
i
ons
.
commit
|
commitdiff
|
tree
2014-09-24
M
a
gnus Lundbo
r
g
A
d
ded no
t
ificat
i
on that
two functions
are obsolete
.
commit
|
commitdiff
|
tree
2014-09-24
Magnu
s
Lundborg
Only free memor
y
once
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lun
d
b
org
C
ombined two obsolete d
a
t
a
retrieval f
u
nctio
n
s
.
commit
|
commitdiff
|
tree
2014-09-24
Magnus Lundborg
Comb
i
ned the two frame data
w
riti
n
g fun
c
tions
.
commit
|
commitdiff
|
tree
2014-09-24
Magnu
s
Lun
d
borg
Merged tng_particl
e
_
dat
a
_block
_
write and t
n
g_dat
a
_b
l
ock
_
write
.
commit
|
commitdiff
|
tree
2014-09-19
M
a
gnus Lundbo
r
g
Merged tng_particle_d
a
ta_read and
tng_d
a
ta_
r
ea
d
.
commit
|
commitdiff
|
tree
2014-09-19
M
a
gnus Lundborg
Use
o
nly one var
i
a
b
l
e instead
o
f two fo
r
t
n
g_data_p
.
commit
|
commitdiff
|
tree
2014-09-19
Magnus Lundborg
Improved c
h
eck
s
to veri
f
y
tha
t
read da
t
a is correct
.
commit
|
commitdiff
|
tree
2014-09-18
Magnus
L
undborg
Added a dep
e
ndency flag in
the t
n
g_data str
u
ct
.
commit
|
commitdiff
|
tree
2014-09-18
Magnus Lundborg
Merge the t
w
o dat
a
blo
c
k
str
u
c
t
s into one
.
commit
|
commitdiff
|
tree
2014-09-17
Magn
u
s Lundborg
Turned repeated code i
n
to f
u
nct
i
o
ns
.
commit
|
commitdiff
|
tree
2014-09-11
Magnus L
u
ndbor
g
Fixed ICC war
n
i
n
g
s
commit
|
commitdiff
|
tree
2014-08-29
Magnus Lundborg
Imp
r
oved
c
heck
if ZL
I
B
i
s available b
e
fore u
s
i
ng it
.
commit
|
commitdiff
|
tree
2014-08-26
M
a
gnus Lundborg
Fix tng
_
util_
g
e
ne
r
ic_double_wri
t
e()
commit
|
commitdiff
|
tree
2014-08-25
Magnus Lundbor
g
Initialize tng comp
r
e
ssions algorithm complet
e
ly
.
commit
|
commitdiff
|
tree
2014-08-25
Magnus L
u
ndborg
I
m
pr
o
ved te
s
ts
commit
|
commitdiff
|
tree
2014-08-22
Magn
u
s Lundborg
Rem
o
v
e
d
unused v
a
riab
l
e to fix warning
.
commit
|
commitdiff
|
tree
2014-08-22
Mag
n
us Lundborg
Fix ZLIB usage
.
commit
|
commitdiff
|
tree
2014-08-21
M
a
gnus L
u
n
d
borg
M
o
ved
d
efines to supp
o
r
t
large
f
iles into tng
_
i
o
.
c
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus
L
u
n
dborg
A
dded more
so
p
h
i
sti
c
ated functions to get n frames
.
.
.
commit
|
commitdiff
|
tree
2014-08-20
Ma
g
n
us
L
undborg
R
e
moved com
p
iling of tng
_
io_gen_v
e
rsioned
_
o
utput
.
c
commit
|
commitdiff
|
tree
2014-08-11
Magnus Lu
n
dborg
Che
c
k that the data
t
ype
i
s float as expected
.
commit
|
commitdiff
|
tree
2014-07-23
M
a
g
nus Lundborg
Improved TNG
c
o
mpression speed
.
commit
|
commitdiff
|
tree
2014-07-21
Magnus Lundborg
Improved testing of TNG fu
n
ctions
.
commit
|
commitdiff
|
tree
2014-07-17
Magn
u
s Lundb
o
rg
Rew
r
it
e
of file
i/o
.
commit
|
commitdiff
|
tree
2014-07-01
Ma
g
nus Lun
d
borg
Fix bug causing re
a
ding next fr
a
me not to stop
.
commit
|
commitdiff
|
tree
2014-07-01
Magnus Lun
d
borg
Adjust include dir
e
ctory for som
e
c
orn
e
r cases
commit
|
commitdiff
|
tree
2014-06-30
Ma
g
nus Lu
n
d
b
or
g
Fixe
d
tn
g
_num_frame_sets_get()
commit
|
commitdiff
|
tree
2014-06-26
Magnus Lundborg
Version
1
.
6 of
t
he TNG li
b
ra
r
y
.
commit
|
commitdiff
|
tree
2014-06-19
M
agnus Lundborg
Raised minimum cmak
e
version to 2
.
8
.
8
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lundborg
Use CMAKE_INSTALL_LIBDIR
a
s
l
o
cation
f
or installation
.
commit
|
commitdiff
|
tree
2014-06-19
Ma
g
nus
L
undborg
When adding a bond
do not
automaticall
y
ch
e
ck if it
.
.
.
commit
|
commitdiff
|
tree
2014-06-18
M
a
gnus L
u
ndborg
Bug fix
.
D
i
d not look through
a
l
l chains
.
commit
|
commitdiff
|
tree
2014-06-18
Magnus
Lundborg
Fixe
d
another eter
n
al loo
p
.
commit
|
commitdiff
|
tree
2014-06-18
Magnus Lund
b
org
F
i
x
ed loop
g
oing
on
f
o
rever
.
commit
|
commitdiff
|
tree
2014-06-17
Magnus Lundbor
g
Fixed
some compilation
warnings
.
commit
|
commitdiff
|
tree
2014-06-17
Magnus Lundb
o
rg
Some checks to
ha
n
dle unreadable block he
a
ders
.
commit
|
commitdiff
|
tree
2014-06-17
Ma
g
nus
L
u
ndborg
Fixed a compilat
i
on
w
a
r
n
ing when !US
E
_ZLIB
.
commit
|
commitdiff
|
tree
2014-06-16
Magnus Lundb
o
rg
Migrating data blocks
.
commit
|
commitdiff
|
tree
2014-06-16
Magnus Lund
b
org
Fixed c
o
mpilation wa
r
nings
.
commit
|
commitdiff
|
tree
2014-06-16
Mag
n
us
L
und
b
org
Migra
t
ing data blocks [WIP]
.
commit
|
commitdiff
|
tree
2014-06-11
Ma
g
n
us Lundborg
Ch
e
ck to ensure not readi
n
g past end
o
f file
.
commit
|
commitdiff
|
tree
2014-05-28
Magnus Lundborg
Reread frame
s
e
t aft
e
r g
e
ttin
g
s
tride length
.
commit
|
commitdiff
|
tree
2014-05-28
Magnus Lu
n
dborg
Hand
l
e o
n
e
frame f
r
a
m
e sets
w
hen reading data
.
commit
|
commitdiff
|
tree
2014-05-28
Magnus Lu
n
dborg
Mo
r
e work with m
i
grating da
t
a b
l
ocks
.
WIP
.
commit
|
commitdiff
|
tree
2014-05-05
Magnus
L
undborg
Check if number of written frames should b
e
updat
e
d
.
commit
|
commitdiff
|
tree
2014-04-15
M
a
gnus Lun
d
borg
Improved add
i
ng to,
a
n
d
finding in,
m
olecule
sys
t
em
commit
|
commitdiff
|
tree
2014-04-14
Magnus Lundborg
Funct
i
ons for migrating da
t
a bloc
k
s
.
"U
n
reversed" for
.
.
.
commit
|
commitdiff
|
tree
2014-03-11
Magn
u
s
Lundbor
g
I
nstall t
n
g_io_fwd
.
h
as well when ins
t
alling
.
commit
|
commitdiff
|
tree
2014-03-04
Magnu
s
Lundborg
Updated path to tng
h
eader files
.
commit
|
commitdiff
|
tree
2014-03-01
M
a
gnus Lundborg
Modify the op
t
ion to
s
p
e
cify if ZLIB shou
l
d be used
.
commit
|
commitdiff
|
tree
2014-02-19
Magnus Lundborg
Fix
e
d
some
w
arnings
abo
u
t
uninitializ
e
d varia
b
l
es
.
commit
|
commitdiff
|
tree
2014-02-13
Magnu
s
Lundborg
Improved
compiler ch
e
cks for
s
etting w
a
rning flags
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lu
n
dborg
Remove
O
pen
M
P
optio
n
.
commit
|
commitdiff
|
tree
2014-02-11
M
a
g
nus Lundbor
g
Fixed some
clang warni
n
gs
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus L
u
nd
b
o
r
g
Open
files
in binary mode to fix
b
ug on Windows
.
commit
|
commitdiff
|
tree
2014-01-21
Magnus Lundbo
r
g
Upd
a
ted change l
o
g
.
commit
|
commitdiff
|
tree
2014-01-21
Magnus
Lu
n
dborg
Bump
v
ersion num
b
e
r
.
A
d
d
ed changes to c
h
a
n
ge lo
g
.
commit
|
commitdiff
|
tree
2014-01-21
Magnus Lundborg
Make f
i
nding zlib fail qui
e
tly
.
commit
|
commitdiff
|
tree
2014-01-14
M
agnus Lund
b
org
M
ore improvemen
t
s to reading ne
x
t frame
.
commit
|
commitdiff
|
tree
2014-01-14
Magnus Lund
b
org
I
m
p
r
o
v
ed readi
n
g n
e
xt frame
.
commit
|
commitdiff
|
tree
2014-01-14
Magnus Lu
n
dborg
O
n
e mo
r
e include path fixe
d
.
commit
|
commitdiff
|
tree
2014-01-14
Magn
u
s Lundborg
Use rel
a
tive paths for inclu
d
es
.
commit
|
commitdiff
|
tree
2014-01-13
Magnus Lundborg
Fixed s
o
me warnings
.
Still needs
to fix
t
ng
_
pa
r
ticle_data_va
.
.
.
commit
|
commitdiff
|
tree
2014-01-13
Mag
n
us Lundborg
Some fixes
in tng_trajectory_in
i
t_fro
m
_src()
commit
|
commitdiff
|
tree
2014-01-13
Magnus Lu
n
d
b
org
Reset
current fram
e
s
e
t
file
pos
aft
e
r counting frame
.
.
.
commit
|
commitdiff
|
tree
2014-01-13
Magnus
Lu
n
db
o
rg
Fix to last
c
ommit
.
commit
|
commitdiff
|
tree
2014-01-13
Mag
n
us Lu
n
dborg
Reset t
h
e curr
e
n
t frame set
a
fter co
u
nt
i
ng the n
u
mbe
r
.
.
.
commit
|
commitdiff
|
tree
2014-01-13
Magnus Lundborg
New static
f
unc
t
ion for reading data block
m
eta da
t
a
.
commit
|
commitdiff
|
tree
2014-01-10
Magn
u
s Lund
b
o
r
g
F
i
x
e
d bug
in name co
m
parisons
.
commit
|
commitdiff
|
tree
2014-01-10
Ma
g
nus Lundbor
g
Do not
automa
t
ically clear particle m
a
ppings when adding
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
Magnus Lundborg
Furthe
r
improvem
e
nts on implicit particles
.
commit
|
commitdiff
|
tree
2014-01-08
M
a
gn
u
s Lund
b
org
Improved molecule handling (set num particles and num
.
.
.
commit
|
commitdiff
|
tree
2014-01-08
Ma
g
nus Lun
d
borg
More fixes
t
o
avoid redefinition o
f
PRId64
.
commit
|
commitdiff
|
tree
2014-01-08
Magnus Lundborg
B
e
tter handling
of inttyp
e
s
.
h
commit
|
commitdiff
|
tree
next