repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Prepare for beta 2
2018-10-22
Paul Bauer
Prepare
for be
t
a 2
commit
|
commitdiff
|
tree
2018-10-22
Paul Bau
e
r
GR
O
MACS
2019 first beta rele
a
s
e
commit
|
commitdiff
|
tree
2018-10-18
Paul Bauer
Remove unused
files in docs
/
m
anua
l
commit
|
commitdiff
|
tree
2018-10-10
Paul Bauer
Include doi strings from ze
n
odo duri
n
g rele
a
se
commit
|
commitdiff
|
tree
2018-10-10
Paul Bau
e
r
Wron
g
name
f
or
report-methods tool
commit
|
commitdiff
|
tree
2018-10-08
P
aul Bauer
Workaround for
I
CC
pos
t
s
ubmit
b
ug
commit
|
commitdiff
|
tree
2018-10-03
P
a
u
l Bauer
Change
accepta
b
le prec
i
sion
in minimize
r
test
commit
|
commitdiff
|
tree
2018-10-03
P
aul Bau
e
r
Disable GMXAPI when only buil
d
ing mdru
n
commit
|
commitdiff
|
tree
2018-10-02
Paul Bauer
Fix in
c
lu
d
e form
a
tting in gmxapi
commit
|
commitdiff
|
tree
2018-10-01
Paul
Bau
e
r
Ch
a
n
ge get_atom_index to retu
r
n int
commit
|
commitdiff
|
tree
2018-09-20
Paul
Ba
u
e
r
Separate m
e
t
hods to cre
a
te localtop and t_t
o
pology
commit
|
commitdiff
|
tree
2018-09-20
Paul B
a
uer
A
l
ways use mtop constructor
commit
|
commitdiff
|
tree
2018-09-17
Paul Bauer
Properly in
i
tialize idef in topologies
commit
|
commitdiff
|
tree
2018-09-14
Paul Bauer
Remo
v
e
L
a
T
e
X file w
r
iting
from gmx check
commit
|
commitdiff
|
tree
2018-09-14
P
aul Baue
r
Introdu
c
e gmx
rep
o
rt-
m
eth
o
ds
commit
|
commitdiff
|
tree
2018-09-09
Paul Bauer
Remove macro
f
or
g
roup type in topology
commit
|
commitdiff
|
tree
2018-09-05
P
aul Bauer
Changes to d
o
c
u
me
n
t
ation
b
uild script
commit
|
commitdiff
|
tree
2018-09-05
Paul Ba
u
e
r
Improv
e
st
a
bi
l
i
t
y
o
f pa
r
allel
d
ocume
n
t
a
tion build
commit
|
commitdiff
|
tree
2018-09-03
Paul Ba
u
er
F
ix er
r
or
i
n
d
o
c
umentation build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Al
l
ow documentation t
o
b
u
ild
in
parallel
commit
|
commitdiff
|
tree
2018-08-30
Paul Bau
e
r
More f
i
xes fr
o
m clang-tidy-7
commit
|
commitdiff
|
tree
2018-08-28
Paul Bauer
F
i
x
do
c
umentation build without imagemagick
commit
|
commitdiff
|
tree
2018-08-27
P
aul Bauer
T
r
ansfer information from old how-to section
commit
|
commitdiff
|
tree
2018-08-23
Paul B
a
uer
Update to prepare for
2018
.
4 po
i
nt release
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Ve
r
sion 20
1
8
.
3
commit
|
commitdiff
|
tree
2018-08-22
Paul Bauer
Fix
trjconv when
r
unning without a s
t
ruc
t
ur
e
f
i
le
commit
|
commitdiff
|
tree
2018-08-14
Paul Bau
e
r
U
p
d
ated l
i
nks in user guide
commit
|
commitdiff
|
tree
2018-08-07
P
a
u
l
B
a
uer
Rem
o
ve dupl
i
cate entr
y
f
o
r Doxygen from dev
m
an
u
a
l
commit
|
commitdiff
|
tree
2018-08-01
P
a
u
l
B
a
u
er
F
i
x -s
k
ip opt
i
on for g
m
x
rms
commit
|
commitdiff
|
tree
2018-07-30
Paul Ba
u
er
Fix bfacto
r
output
commit
|
commitdiff
|
tree
2018-07-24
Paul
Bauer
Chang
e
manu
a
l section
o
n
r
e
starts
w/o
checkpoint
commit
|
commitdiff
|
tree
2018-06-08
P
a
u
l Bauer
F
ix gmx
s
olvate with m
u
ltiple solvent mo
l
ec
u
le types
commit
|
commitdiff
|
tree
2018-06-07
Paul
B
a
uer
C
h
ange
u
s
e
of t_inpfile to std::vector
commit
|
commitdiff
|
tree
2018-06-07
Paul Baue
r
Remov
e
macr
o
s in input file r
e
adi
n
g
commit
|
commitdiff
|
tree
2018-06-06
P
a
ul Ba
u
e
r
Fix PQR file o
u
tput
commit
|
commitdiff
|
tree
2018-05-30
Paul Bauer
Disall
o
w use of empty box
inf
o
rmation in solvent fi
l
es
commit
|
commitdiff
|
tree
2018-05-04
Paul Ba
u
er
Fix md
-
cpi
-
noa
p
pend
commit
|
commitdiff
|
tree
2018-04-27
P
aul
B
a
uer
Fix file reading in gmx
s
a
n
s
commit
|
commitdiff
|
tree
2018-04-26
Pau
l
Bauer
Reorga
n
i
z
e files for reference manual
commit
|
commitdiff
|
tree
2018-04-26
Paul B
a
uer
Sp
l
it up analysis
c
ha
p
ter in ref
e
rence manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Spl
i
t up s
p
ecial
topics
section in ma
n
ual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up topology se
c
t
ion in manual
commit
|
commitdiff
|
tree
2018-04-26
Paul
Ba
u
er
Split up algorithms ma
n
ual
page
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
Add page b
r
eaks in refe
r
ence manual
commit
|
commitdiff
|
tree
2018-04-25
Pa
u
l Bauer
Spl
i
t up Interactio
n
f
unctions manual page
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
Cha
n
ge image
conv
e
rsion to only be build once
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
C
on
v
ert manual fro
m
L
aTeX
to Markup
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
Se
c
ond
cha
n
ge tr
a
ck
i
ng
c
ommit
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
I
nterme
d
iate commit
t
o
track changes
to ma
n
u
a
l
commit
|
commitdiff
|
tree
2018-04-18
Paul Bauer
Remove obsolete
variable prec gro file ou
t
put
commit
|
commitdiff
|
tree
2018-04-17
Paul Bau
e
r
Fi
x
legac
y
topology mem
o
ry
error
commit
|
commitdiff
|
tree
2018-03-29
P
a
u
l
Bauer
Fix c
m
ake S
p
hinx det
e
ction
f
or ver
s
ions >1
.
6
.
4
commit
|
commitdiff
|
tree
2018-03-16
P
a
u
l
Baue
r
O
nly free topology
w
hen allocated
commit
|
commitdiff
|
tree
2018-02-26
Pa
u
l Bauer
Ch
a
nge
TNG
file op
e
n
ing
commit
|
commitdiff
|
tree
2018-02-01
Pa
u
l Bauer
Add inform
a
t
i
on
f
or n
2
t file f
o
r
m
at
commit
|
commitdiff
|
tree
2018-01-18
Pa
u
l Bauer
Add co
n
tribution informat
i
o
n to webpage
commit
|
commitdiff
|
tree
2018-01-04
Paul Bauer
Fix gmx m
s
d when
u
si
n
g COM remova
l
and mol
e
cul
e
s
commit
|
commitdiff
|
tree
2018-01-03
P
a
ul Bauer
Co
r
r
e
ct d
i
hedral
r
estraint
s
ection in Manua
l
commit
|
commitdiff
|
tree
2017-12-19
Paul
Bauer
Removed -skip option from gmx ene
r
gy
commit
|
commitdiff
|
tree
2017-12-14
Paul Bau
e
r
Remove PBC before g
e
n
erati
n
g
TPR with group schem
e
commit
|
commitdiff
|
tree
2017-12-11
Pa
u
l B
a
uer
Fewer messages when -cp
i
file
i
s n
o
t present
commit
|
commitdiff
|
tree
2017-12-11
P
a
ul
B
auer
Disal
l
ow combination of PME
-
user a
n
d
v
erlet
cutoff
commit
|
commitdiff
|
tree
2017-12-08
Paul Bauer
A
dd information regarding x
l
c compiler
commit
|
commitdiff
|
tree
2017-11-27
Paul Bauer
Add GPU task
info
r
mation to user-guide
commit
|
commitdiff
|
tree
2017-11-21
Paul Bauer
First general
additi
o
ns to the documentation
commit
|
commitdiff
|
tree
2017-11-01
Paul Baue
r
Small change to LaTeX manual generation
commit
|
commitdiff
|
tree
2017-11-01
Paul
Ba
u
e
r
Fixing missing re
f
erenc
e
s
in web doc
u
mentati
o
n
commit
|
commitdiff
|
tree
2017-10-11
Pa
u
l Bau
e
r
Chan
g
e to
modules f
o
r build of we
b
documentat
i
o
n
commit
|
commitdiff
|
tree