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Introduce gmx report-methods
2018-09-14
Paul Bauer
In
t
roduce g
m
x repor
t
-methods
commit
|
commitdiff
|
tree
2018-09-09
Paul Bauer
Remove ma
c
ro
f
o
r gro
u
p
t
ype in topology
commit
|
commitdiff
|
tree
2018-09-05
Pau
l
Bauer
Chan
g
es to
d
o
cumenta
t
ion bui
l
d script
commit
|
commitdiff
|
tree
2018-09-05
Paul
B
au
e
r
Improve s
t
a
b
ility
of parallel document
a
tion build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Fi
x
error in
d
ocumentation build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Allo
w
document
a
tion to
b
ui
l
d in parallel
commit
|
commitdiff
|
tree
2018-08-30
Paul
B
a
uer
M
or
e
fixes from clang-
t
idy-7
commit
|
commitdiff
|
tree
2018-08-28
Paul Bau
e
r
Fix documentation
b
uild w
i
thout imagemag
i
c
k
commit
|
commitdiff
|
tree
2018-08-27
Pa
u
l
B
auer
Transfer inform
a
tion from old how-t
o
section
commit
|
commitdiff
|
tree
2018-08-23
P
a
u
l Bauer
Update to
prepare for 2018
.
4
point
r
ele
a
se
commit
|
commitdiff
|
tree
2018-08-23
P
a
ul Baue
r
Vers
i
on 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Paul Ba
u
er
F
ix tr
j
conv
w
hen running without
a
structure file
commit
|
commitdiff
|
tree
2018-08-14
P
aul Ba
u
er
Updated links in u
s
er guide
commit
|
commitdiff
|
tree
2018-08-07
Paul
Bauer
Remove duplicate
e
ntry for Doxygen from d
e
v manual
commit
|
commitdiff
|
tree
2018-08-01
Paul
B
a
u
er
Fix -skip option for gmx rms
commit
|
commitdiff
|
tree
2018-07-30
P
a
u
l B
a
ue
r
Fix bfa
c
tor out
p
ut
commit
|
commitdiff
|
tree
2018-07-24
Paul Bauer
Ch
a
nge
m
anu
a
l section o
n
r
estarts w/o chec
k
po
i
n
t
commit
|
commitdiff
|
tree
2018-06-08
Paul Bauer
Fix gmx solv
a
te w
i
th multiple
s
olvent molec
u
l
e
types
commit
|
commitdiff
|
tree
2018-06-07
Pau
l
Bauer
Change u
s
e of t_inpfile to std::vec
t
o
r
commit
|
commitdiff
|
tree
2018-06-07
P
a
ul Bauer
Remov
e
macros in in
p
u
t file reading
commit
|
commitdiff
|
tree
2018-06-06
Paul Bauer
Fix PQR f
i
le
output
commit
|
commitdiff
|
tree
2018-05-30
Paul
B
a
u
e
r
Disallow use
of empty box inform
a
tion in sol
v
ent file
s
commit
|
commitdiff
|
tree
2018-05-04
Pau
l
Bauer
Fix m
d
-cpi -noappend
commit
|
commitdiff
|
tree
2018-04-27
P
aul Bauer
Fix file rea
d
i
ng in gmx
s
ans
commit
|
commitdiff
|
tree
2018-04-26
Paul
B
auer
Reorgani
z
e files f
o
r reference manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bau
e
r
Split up analys
i
s
cha
p
ter in refer
e
n
ce man
u
al
commit
|
commitdiff
|
tree
2018-04-26
Pa
u
l Bauer
Spli
t
up spec
i
a
l
topi
c
s
secti
o
n
i
n manua
l
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
S
p
li
t
up t
o
pology section in
m
anual
commit
|
commitdiff
|
tree
2018-04-26
P
a
ul Bauer
Split up
a
lgorithms manual
p
age
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
A
dd p
a
g
e
breaks in refere
n
ce man
u
al
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
Sp
l
it up In
t
eraction functions m
a
nual page
commit
|
commitdiff
|
tree
2018-04-25
Pau
l
B
a
u
er
Ch
a
nge image
c
onversion to only be build onc
e
commit
|
commitdiff
|
tree
2018-04-21
P
aul Bauer
Convert
manual fro
m
LaT
e
X
t
o Mar
k
up
commit
|
commitdiff
|
tree
2018-04-21
Pa
u
l B
a
uer
Sec
o
nd change
t
r
ac
k
ing commit
commit
|
commitdiff
|
tree
2018-04-21
P
au
l
B
a
uer
Intermed
i
ate commit to
t
rack
chan
g
es t
o
manual
commit
|
commitdiff
|
tree
2018-04-18
Paul Bauer
Remove o
b
s
ol
e
te v
a
riable prec gro f
i
le outp
u
t
commit
|
commitdiff
|
tree
2018-04-17
Paul
B
auer
Fix l
e
gacy topol
o
g
y
memo
r
y erro
r
commit
|
commitdiff
|
tree
2018-03-29
P
aul Bauer
Fix
c
make Sphinx det
e
c
tion for ve
r
sio
n
s
>1
.
6
.
4
commit
|
commitdiff
|
tree
2018-03-16
Paul
B
a
uer
Only
f
r
ee topol
o
gy when alloc
a
te
d
commit
|
commitdiff
|
tree
2018-02-26
P
a
u
l Bauer
Chang
e
TNG file
open
i
ng
commit
|
commitdiff
|
tree
2018-02-01
Pau
l
B
au
e
r
Add in
f
orma
t
ion
for
n2t fi
l
e format
commit
|
commitdiff
|
tree
2018-01-18
Pa
u
l B
a
uer
A
dd co
n
trib
u
tion information to webpage
commit
|
commitdiff
|
tree
2018-01-04
Paul Bauer
Fix gmx msd when us
i
ng
C
OM removal and molecu
l
es
commit
|
commitdiff
|
tree
2018-01-03
Paul Baue
r
Correct dihe
d
r
a
l
restraint section in M
a
nual
commit
|
commitdiff
|
tree
2017-12-19
P
a
ul Bau
e
r
Remo
v
e
d
-skip option from gmx energy
commit
|
commitdiff
|
tree
2017-12-14
Paul Ba
u
er
Remo
v
e PBC before generating TPR with g
r
oup scheme
commit
|
commitdiff
|
tree
2017-12-11
Paul
Bauer
Fewer messa
g
e
s
when
-
cpi file
i
s
not
pre
s
ent
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Disallow c
o
mbinat
i
o
n
of PME-
u
ser
a
nd
v
erlet cutoff
commit
|
commitdiff
|
tree
2017-12-08
Paul
Bauer
Add information
r
e
g
ardin
g
xlc c
o
mpiler
commit
|
commitdiff
|
tree
2017-11-27
Paul Bauer
Add GPU t
a
s
k informatio
n
to
user-guide
commit
|
commitdiff
|
tree
2017-11-21
Paul Bauer
First general
a
dditions to th
e
docum
e
ntation
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
Sma
l
l change
t
o LaTeX ma
n
ual generat
i
on
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
F
i
x
i
ng m
i
ss
i
ng references in web docume
n
tatio
n
commit
|
commitdiff
|
tree
2017-10-11
P
aul Bauer
Ch
a
nge to modules for build of web docum
e
ntation
commit
|
commitdiff
|
tree