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Wrong name for report-methods tool
2018-10-10
Paul Bauer
Wrong
name
for report-methods tool
commit
|
commitdiff
|
tree
2018-10-08
Pa
u
l Bauer
Workaround for ICC postsubmi
t
b
ug
commit
|
commitdiff
|
tree
2018-10-03
Paul
Bauer
Change accept
a
ble p
r
ecis
i
on
i
n minimiz
e
r t
e
st
commit
|
commitdiff
|
tree
2018-10-03
Pau
l
Bauer
Disable
G
M
XAPI when o
n
ly
buildin
g
mdrun
commit
|
commitdiff
|
tree
2018-10-02
Paul Bauer
F
i
x incl
u
de format
t
i
ng in gmxapi
commit
|
commitdiff
|
tree
2018-10-01
Paul Bauer
Change get_atom_
i
ndex
t
o r
e
turn int
commit
|
commitdiff
|
tree
2018-09-20
P
a
ul B
a
uer
Separate me
t
h
o
ds to
c
reate loca
l
top and t_topology
commit
|
commitdiff
|
tree
2018-09-20
Paul Baue
r
Always use mtop con
s
tructor
commit
|
commitdiff
|
tree
2018-09-17
Paul Bauer
Properl
y
i
ni
t
ia
l
ize ide
f
i
n t
o
po
l
og
i
es
commit
|
commitdiff
|
tree
2018-09-14
Pau
l
Bauer
R
e
move LaTeX file writing from gmx check
commit
|
commitdiff
|
tree
2018-09-14
Paul Bauer
Introduce gmx report-m
e
thods
commit
|
commitdiff
|
tree
2018-09-09
Paul Bauer
Remove macro fo
r
group type in topology
commit
|
commitdiff
|
tree
2018-09-05
Paul Bau
e
r
Changes to documentation build scri
p
t
commit
|
commitdiff
|
tree
2018-09-05
Pau
l
B
a
u
e
r
Improve sta
b
il
i
ty of para
l
lel
docum
e
ntation
b
uild
commit
|
commitdiff
|
tree
2018-09-03
Paul Bau
e
r
Fix error in documentation build
commit
|
commitdiff
|
tree
2018-09-03
P
a
ul Bauer
A
l
low
documentation
t
o build
in para
l
lel
commit
|
commitdiff
|
tree
2018-08-30
Paul Baue
r
More f
i
xes from c
l
a
ng-tidy-7
commit
|
commitdiff
|
tree
2018-08-28
P
a
ul Bauer
Fix d
o
cumentation buil
d
without imag
e
ma
g
ick
commit
|
commitdiff
|
tree
2018-08-27
Paul Bauer
Tr
a
n
s
fer informatio
n
from
old how-to sectio
n
commit
|
commitdiff
|
tree
2018-08-23
Paul Bau
e
r
Update to pr
e
pa
r
e for 201
8
.
4 point release
commit
|
commitdiff
|
tree
2018-08-23
P
aul Baue
r
Version 2018
.
3
commit
|
commitdiff
|
tree
2018-08-22
Paul
B
a
u
er
Fi
x
trjconv wh
e
n
r
u
n
ning witho
u
t a structure f
i
le
commit
|
commitdiff
|
tree
2018-08-14
Paul
B
auer
U
p
dated links
i
n
user
g
u
ide
commit
|
commitdiff
|
tree
2018-08-07
Paul Bauer
R
e
m
ove d
u
p
l
i
c
ate entry for D
o
xygen
f
rom dev man
u
a
l
commit
|
commitdiff
|
tree
2018-08-01
P
a
ul Ba
u
er
Fix -sk
i
p option for gmx rms
commit
|
commitdiff
|
tree
2018-07-30
Pa
u
l Bauer
Fix
bfactor output
commit
|
commitdiff
|
tree
2018-07-24
Paul Bauer
Change manual
s
ection on r
e
starts w
/
o
checkpoint
commit
|
commitdiff
|
tree
2018-06-08
Paul
Bau
e
r
Fix gmx solva
t
e with multiple
s
olve
n
t molecule
t
y
p
es
commit
|
commitdiff
|
tree
2018-06-07
P
a
ul B
a
uer
Change
u
se of t_inpfile to std::vector
commit
|
commitdiff
|
tree
2018-06-07
Paul Bau
e
r
Remove macros in input f
i
le readi
n
g
commit
|
commitdiff
|
tree
2018-06-06
P
aul Bauer
Fix PQ
R
file output
commit
|
commitdiff
|
tree
2018-05-30
P
aul Baue
r
Disallow use of empty box inform
a
t
i
on
in
s
olvent files
commit
|
commitdiff
|
tree
2018-05-04
P
aul Bauer
Fix md -cpi
-noappend
commit
|
commitdiff
|
tree
2018-04-27
P
a
u
l Bauer
Fi
x
file r
e
ading in
gmx sa
n
s
commit
|
commitdiff
|
tree
2018-04-26
P
a
ul Bauer
Reorgan
i
z
e files for refer
e
n
c
e
ma
n
ual
commit
|
commitdiff
|
tree
2018-04-26
Pau
l
Bauer
Split up analysis chapter in refe
r
ence manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up
s
p
ecial
t
opics sectio
n
i
n
manu
a
l
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split
u
p top
o
logy section in manual
commit
|
commitdiff
|
tree
2018-04-26
P
a
ul Bauer
Split up algorith
m
s m
a
nual pa
g
e
commit
|
commitdiff
|
tree
2018-04-25
Paul
B
auer
Add pag
e
b
reaks in reference manu
a
l
commit
|
commitdiff
|
tree
2018-04-25
Pa
u
l Baue
r
S
plit
up Interaction functions manual page
commit
|
commitdiff
|
tree
2018-04-25
Paul Bau
e
r
Change ima
g
e conversion to only be b
u
ild once
commit
|
commitdiff
|
tree
2018-04-21
Paul Baue
r
Con
v
e
rt m
a
nual from LaT
e
X to M
a
r
kup
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
S
e
c
ond change t
r
a
cking co
m
mi
t
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
Interme
d
i
a
te
c
ommit
t
o track changes to manual
commit
|
commitdiff
|
tree
2018-04-18
Paul B
a
uer
R
e
m
ove obsolet
e
variable prec gro f
i
le output
commit
|
commitdiff
|
tree
2018-04-17
P
a
ul Bauer
Fix legac
y
t
o
polog
y
memo
r
y error
commit
|
commitdiff
|
tree
2018-03-29
Pau
l
Bauer
Fix cmake Sp
h
inx detection for
v
e
r
sions >1
.
6
.
4
commit
|
commitdiff
|
tree
2018-03-16
Paul Bauer
O
n
ly f
r
e
e
t
opology when a
l
l
o
c
a
ted
commit
|
commitdiff
|
tree
2018-02-26
Pau
l
Bau
e
r
C
han
g
e
T
NG file openin
g
commit
|
commitdiff
|
tree
2018-02-01
Pau
l
Bauer
Add information for n2t
file format
commit
|
commitdiff
|
tree
2018-01-18
Paul Bauer
Ad
d
co
n
t
ribution information to webpage
commit
|
commitdiff
|
tree
2018-01-04
Paul
Bau
e
r
Fix
g
mx msd when using COM
removal
a
nd
m
olecules
commit
|
commitdiff
|
tree
2018-01-03
P
a
ul Bauer
C
o
rrect d
i
hed
r
al rest
r
aint secti
o
n in Manual
commit
|
commitdiff
|
tree
2017-12-19
Paul
B
auer
Removed -s
k
ip option from
gmx ener
g
y
commit
|
commitdiff
|
tree
2017-12-14
Paul Bauer
R
emov
e
PB
C
bef
o
re gener
a
ting TPR with gr
o
up sche
m
e
commit
|
commitdiff
|
tree
2017-12-11
Paul Bau
e
r
Few
e
r mess
a
ges when -cp
i
file
is
not
p
r
esent
commit
|
commitdiff
|
tree
2017-12-11
Pau
l
Bauer
Disallow
c
o
mbination of PME-use
r
and ve
r
let cutoff
commit
|
commitdiff
|
tree
2017-12-08
P
a
ul Bauer
Add
i
nformation re
g
a
r
ding
x
lc compiler
commit
|
commitdiff
|
tree
2017-11-27
Pau
l
Bauer
Add GPU task informa
t
i
o
n to u
s
er-gui
d
e
commit
|
commitdiff
|
tree
2017-11-21
P
aul Bauer
First gen
e
ral additions to the documen
t
ation
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
Small chan
g
e to LaTeX
m
a
nual g
e
nerati
o
n
commit
|
commitdiff
|
tree
2017-11-01
P
a
ul Bauer
Fixing missing refere
n
ce
s
in web documentation
commit
|
commitdiff
|
tree
2017-10-11
Paul Bauer
Change to
modules
f
or build of web do
c
umentation
commit
|
commitdiff
|
tree