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Wrong name for report-methods tool
2018-10-10
Paul Bauer
Wrong name for repo
r
t-me
t
hods tool
commit
|
commitdiff
|
tree
2018-10-08
Paul
B
auer
Workarou
n
d f
o
r ICC postsu
b
m
i
t bug
commit
|
commitdiff
|
tree
2018-10-03
Paul Bauer
Change acc
e
ptab
l
e precision in minimizer test
commit
|
commitdiff
|
tree
2018-10-03
P
aul Bauer
Disab
l
e
G
M
X
API when
o
n
l
y
bu
i
lding m
d
run
commit
|
commitdiff
|
tree
2018-10-02
Paul Bauer
Fix include formatting in gmxapi
commit
|
commitdiff
|
tree
2018-10-01
P
aul Bauer
Change
g
et_atom
_
inde
x
to return int
commit
|
commitdiff
|
tree
2018-09-20
Paul Bauer
Separate methods to creat
e
l
o
c
a
ltop an
d
t_top
o
logy
commit
|
commitdiff
|
tree
2018-09-20
Paul Bauer
Always use m
t
o
p
c
o
n
s
t
r
uctor
commit
|
commitdiff
|
tree
2018-09-17
Paul B
a
uer
Properly
init
i
alize idef in topologies
commit
|
commitdiff
|
tree
2018-09-14
Pa
u
l Bau
e
r
Remove LaTeX fi
l
e
w
riting from g
m
x c
h
ec
k
commit
|
commitdiff
|
tree
2018-09-14
Paul Bau
e
r
Introduce gm
x
report-metho
d
s
commit
|
commitdiff
|
tree
2018-09-09
Paul Bauer
Remove macro for group typ
e
in top
o
l
o
gy
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
Changes to
do
c
umentatio
n
b
u
ild script
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
I
mprove stability of parallel d
o
c
u
mentation
build
commit
|
commitdiff
|
tree
2018-09-03
Pau
l
Baue
r
Fix error
i
n documentati
o
n b
u
i
ld
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Allow
documentation to
b
uil
d
in paralle
l
commit
|
commitdiff
|
tree
2018-08-30
P
a
ul Bau
e
r
More f
i
x
es from clang-tidy-7
commit
|
commitdiff
|
tree
2018-08-28
Pa
u
l Bauer
Fix
d
ocumentation
build without imagemag
i
ck
commit
|
commitdiff
|
tree
2018-08-27
Paul Bauer
T
ransfer information fr
o
m
ol
d
how-t
o
s
e
ction
commit
|
commitdiff
|
tree
2018-08-23
P
aul Bauer
Upd
a
te to prepare
for 2
0
18
.
4 poin
t
release
commit
|
commitdiff
|
tree
2018-08-23
Paul
B
auer
Version
201
8
.
3
commit
|
commitdiff
|
tree
2018-08-22
Paul Bauer
Fix trjcon
v
whe
n
run
n
ing
w
ith
o
ut a
structure file
commit
|
commitdiff
|
tree
2018-08-14
Paul Bauer
Updated links in u
s
er guide
commit
|
commitdiff
|
tree
2018-08-07
P
aul Bauer
R
e
move duplicate
e
n
try for
D
o
xygen from
de
v
man
u
al
commit
|
commitdiff
|
tree
2018-08-01
P
aul B
a
uer
F
i
x -skip option f
o
r gmx rms
commit
|
commitdiff
|
tree
2018-07-30
Paul B
a
u
e
r
Fix
b
factor outp
u
t
commit
|
commitdiff
|
tree
2018-07-24
Pa
u
l Bauer
Change manual secti
o
n on resta
r
ts w/o checkpoint
commit
|
commitdiff
|
tree
2018-06-08
P
a
ul Bauer
Fi
x
gmx solvate with multi
p
le
s
olvent mo
l
ecule typ
e
s
commit
|
commitdiff
|
tree
2018-06-07
Paul Bauer
Change use of
t_inpfile
t
o
s
td::vector
commit
|
commitdiff
|
tree
2018-06-07
Paul Ba
u
er
R
e
move
ma
c
ros in input file reading
commit
|
commitdiff
|
tree
2018-06-06
P
au
l
Bauer
Fix PQR
f
i
l
e
o
u
t
put
commit
|
commitdiff
|
tree
2018-05-30
Paul Ba
u
er
Disallow
u
s
e of
empty box in
f
orma
t
ion in solve
n
t
files
commit
|
commitdiff
|
tree
2018-05-04
Pa
u
l
Bauer
Fix
m
d -cpi
-
noappend
commit
|
commitdiff
|
tree
2018-04-27
P
a
ul Bauer
F
i
x fi
l
e readi
n
g in gmx san
s
commit
|
commitdiff
|
tree
2018-04-26
Paul Baue
r
Reorganize fil
e
s for ref
e
r
ence manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Sp
l
it up analysis c
h
a
p
ter in refer
e
nce manual
commit
|
commitdiff
|
tree
2018-04-26
Paul
Bau
e
r
Split up special topics section in manua
l
commit
|
commitdiff
|
tree
2018-04-26
P
aul Bauer
S
plit
u
p topolog
y
s
ecti
o
n in man
u
al
commit
|
commitdiff
|
tree
2018-04-26
Paul
B
au
e
r
Split up algori
t
hms manual
p
a
ge
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
A
d
d
p
age bre
a
ks in refer
e
nc
e
manua
l
commit
|
commitdiff
|
tree
2018-04-25
P
a
ul Bauer
Split
up I
n
teraction functions ma
n
u
a
l
page
commit
|
commitdiff
|
tree
2018-04-25
Paul
B
auer
Change
image conversio
n
to only be
build once
commit
|
commitdiff
|
tree
2018-04-21
Paul Ba
u
e
r
Convert man
u
al from
LaTe
X
to Markup
commit
|
commitdiff
|
tree
2018-04-21
P
a
ul Bauer
Second
c
h
a
n
ge t
r
ac
k
ing commit
commit
|
commitdiff
|
tree
2018-04-21
Pa
u
l Ba
u
e
r
I
n
t
e
rmediate commit to
t
rack changes to manual
commit
|
commitdiff
|
tree
2018-04-18
Paul
B
auer
R
e
mov
e
obs
o
lete
v
a
riable prec gro
file output
commit
|
commitdiff
|
tree
2018-04-17
P
a
ul Bauer
Fi
x
legacy topology memory er
r
or
commit
|
commitdiff
|
tree
2018-03-29
Pa
u
l Bauer
F
i
x cmake
Sphinx de
t
ection for versions
>
1
.
6
.
4
commit
|
commitdiff
|
tree
2018-03-16
Paul
B
auer
Only
free topo
l
ogy whe
n
allocated
commit
|
commitdiff
|
tree
2018-02-26
P
aul Bauer
Change TN
G
fi
l
e opening
commit
|
commitdiff
|
tree
2018-02-01
Paul Bauer
A
dd inf
o
rmat
i
on
f
o
r n2
t
file format
commit
|
commitdiff
|
tree
2018-01-18
Paul Bauer
Add contributio
n
informa
t
ion to webpage
commit
|
commitdiff
|
tree
2018-01-04
Paul Bauer
Fix g
m
x msd when using C
O
M re
m
o
va
l
and
m
olecules
commit
|
commitdiff
|
tree
2018-01-03
Paul Bauer
Correct dihedral
re
s
traint se
c
tion i
n
M
a
nua
l
commit
|
commitdiff
|
tree
2017-12-19
Pa
u
l
Bauer
Removed
-
skip op
t
i
o
n from gmx
e
n
er
g
y
commit
|
commitdiff
|
tree
2017-12-14
Paul Bauer
Remove PBC before
g
enerati
n
g TP
R
with g
r
oup sc
h
em
e
commit
|
commitdiff
|
tree
2017-12-11
Pa
u
l
Baue
r
Fewer m
e
s
s
ages when -cpi
f
i
l
e
i
s not pre
s
ent
commit
|
commitdiff
|
tree
2017-12-11
Paul Ba
u
er
Disall
o
w
com
b
ination
o
f PME-
u
ser
a
nd verlet
c
utoff
commit
|
commitdiff
|
tree
2017-12-08
P
aul Bauer
A
dd inform
a
tion regarding xlc compiler
commit
|
commitdiff
|
tree
2017-11-27
P
a
ul Ba
u
er
A
d
d GP
U
task info
r
mation to us
e
r-guide
commit
|
commitdiff
|
tree
2017-11-21
Pa
u
l Bauer
F
irst general additi
o
ns t
o
the documentat
i
on
commit
|
commitdiff
|
tree
2017-11-01
Pau
l
B
a
u
e
r
S
m
a
ll change
to LaTeX manual ge
n
er
a
tion
commit
|
commitdiff
|
tree
2017-11-01
Pau
l
Bauer
Fi
x
ing missin
g
references in web documentation
commit
|
commitdiff
|
tree
2017-10-11
P
aul Bauer
Change to modu
l
es
for build of we
b
documentati
o
n
commit
|
commitdiff
|
tree