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Remove docs for unimplemented trjconv -clustercenter
2017-02-08
Mark
Ab
r
aham
R
e
move docs f
o
r u
n
implemented trjconv -
c
l
u
stercenter
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Clarify use of
tau-p
a
n
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Do
n
't prin
t
inva
l
id perfor
m
ance
d
a
ta
commit
|
commitdiff
|
tree
2016-12-14
Mark Abrah
a
m
Fix
misle
a
ding par
a
llelizatio
n
docs for gmx wham
commit
|
commitdiff
|
tree
2016-09-16
B
e
rk Hess
M
a
de distance restraints wor
k
w
i
t
h
threads and DD
commit
|
commitdiff
|
tree
2016-09-11
Vedran Miletić
Print OpenCL e
r
ror string instead of error
code
commit
|
commitdiff
|
tree
2016-08-27
M
a
rk Abr
a
ham
St
o
p using
g
mx_
f
a
t
al
i
n gromp
p
commit
|
commitdiff
|
tree
2016-08-27
R
oland
S
c
h
ulz
Fix build
with GMX_USE_TNG=off
commit
|
commitdiff
|
tree
2016-07-31
D
a
vid van der Sp
o
el
Merge "M
e
rge branc
h
release-
5
-1
into release-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-07-08
Vedran Miletić
Print working dir b
e
f
ore
c
omma
n
d line
commit
|
commitdiff
|
tree
2016-07-08
David van der Spoel
Merge "M
e
rg
e
branch
r
eleas
e
-
5
-
1 into re
l
ease-201
6
"
.
.
.
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
User gu
i
de clari
f
ications
commit
|
commitdiff
|
tree
2016-07-07
Berk Hess
Relax pull PBC c
h
e
ck
commit
|
commitdiff
|
tree
2016-07-03
Berk Hes
s
A
dd grompp
check
for
pull gr
o
up
commit
|
commitdiff
|
tree
2016-06-26
Berk Hes
s
Fix vsit
e
b
ug
w
ith MPI+
O
penMP
commit
|
commitdiff
|
tree
2016-06-21
Ber
k
H
ess
Fix bug
with f
b
posres+MP
I
+OpenMP
commit
|
commitdiff
|
tree
2016-05-30
Berk Hess
Add grompp check for unb
o
un
d
atoms
commit
|
commitdiff
|
tree
2016-05-08
Ma
r
k Abraham
Fix constan
t
s, u
n
its and c
o
nver
s
ion factors
commit
|
commitdiff
|
tree
2015-12-09
Te
e
mu Murt
o
la
Split txtdump
.
*, part 1
commit
|
commitdiff
|
tree
2015-12-05
Mag
n
us Lundborg
Write forces and velocities to compre
s
sed TN
G
.
commit
|
commitdiff
|
tree
2015-11-22
David van
d
er Spoel
C
lea
n
u
ps in
l
egacyhead
e
r/types/commrec
.
h
commit
|
commitdiff
|
tree
2015-11-20
M
ark Abrah
a
m
Split wal
l
cycle int
e
rfac
e
commit
|
commitdiff
|
tree
2015-11-14
B
e
r
k
Hess
Optimized the
b
o
nded thread force redu
c
tion
commit
|
commitdiff
|
tree
2015-11-12
David
v
an
d
e
r
Spoel
Moved
c
opyrite
.
* to fileio
fro
m
gmxlib and legacyh
e
aders
.
commit
|
commitdiff
|
tree
2015-10-18
David van der Spoel
Moved pbc/cut-off
r
elated
u
tilities fro
m
typed
e
f
s
to
.
.
.
commit
|
commitdiff
|
tree
2015-10-15
Berk H
e
ss
Fixe
d
nbnxn_4
x
N performance regress
i
o
n
commit
|
commitdiff
|
tree
2015-10-07
Berk Hess
Fix
bugs
w
ith int
e
rmol interac
t
ions and DD
commit
|
commitdiff
|
tree
2015-10-02
David van d
e
r S
p
o
el
Re
m
o
ved
s
imple
.
h from nb_k
e
r
nel_a
v
x_
2
56_XX
commit
|
commitdiff
|
tree
2015-10-01
Teemu Murto
l
a
Enable time unit
and sel
e
ctions in ICo
m
mandLin
e
Opt
i
onsModule
commit
|
commitdiff
|
tree
2015-09-29
Mark Abra
h
am
Cle
a
n
up of
t
ables
code
commit
|
commitdiff
|
tree
2015-09-29
M
a
rk Abr
a
ha
m
Move tabl
e
s
.
c
t
o new module and C++
commit
|
commitdiff
|
tree
2015-09-22
David van d
e
r Spoel
Remove
d
f
ou
r
includ
e
s fro
m
lega
c
yheader
s
/typedefs
.
h
commit
|
commitdiff
|
tree
2015-07-29
Erik L
i
ndahl
Updat
e
naming sta
n
dards to avoid h
u
n
g
a
r
i
an notation
.
.
.
commit
|
commitdiff
|
tree
2014-09-22
Mark Abrah
a
m
More
q
uotes
commit
|
commitdiff
|
tree
2014-09-22
E
r
ik Lindahl
Mor
e
q
u
otes
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtol
a
Add su
p
port for
c
umulative histogr
a
ms
commit
|
commitdiff
|
tree
2014-06-13
B
e
r
k Hess
Made shell
s
work
w
ith
t
he V
e
rlet s
c
h
eme
commit
|
commitdiff
|
tree
2014-06-12
Berk Hess
Made gm
x
check -
r
msd
w
ork
a
g
ain wi
t
h forces
commit
|
commitdiff
|
tree
2014-06-12
Erik Lindahl
Make s
u
r
e
g
e
n
r
e
str uses the dis
r
e
_
u
p
2 parameter
commit
|
commitdiff
|
tree
2014-06-12
Erik Lindahl
Removed undocumente
d
-map and
-mdata optio
n
s
from g
_
s
h
am
.
commit
|
commitdiff
|
tree
2014-06-12
E
r
ik Li
n
dahl
Alwa
y
s
wr
i
t
e
output from geni
o
n
commit
|
commitdiff
|
tree
2014-06-11
Berk Hess
Made
r
epl_ex time step
m
ore readab
l
e
commit
|
commitdiff
|
tree
2014-06-07
Teemu Mu
r
t
ol
a
Improve (Sel
e
ction|FileName)OptionManager handl
i
ng
commit
|
commitdiff
|
tree
2014-06-07
Teemu Murtola
Replace
all command lin
e
parsing
with Option
s
commit
|
commitdiff
|
tree
2014-06-07
Teemu Murtola
Move residuetype
handling to its own file
.
commit
|
commitdiff
|
tree
2014-06-07
Te
e
m
u Mu
r
to
l
a
Remove support for "
o
ld" in
d
ex file
format
commit
|
commitdiff
|
tree
2014-05-31
Magnus Lundborg
Bug fix
i
n
t
he TNG l
i
brary to improve
reading
.
commit
|
commitdiff
|
tree
2014-05-18
Teemu
Murtola
M
o
ve
3dview
.
* to programs/view
/
commit
|
commitdiff
|
tree
2014-03-17
Teemu Mur
t
ola
Updat
e
manual
analysis section
commit
|
commitdiff
|
tree
2014-02-21
Nina Fis
c
her
Added new ambe
r
99
s
b-ildn-bsc0 force fi
e
l
d
.
commit
|
commitdiff
|
tree
2014-01-19
Ma
r
k
Abraham
C
lean
up af
t
er
g
mxcpp
commit
|
commitdiff
|
tree