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
Add grompp check for unbound atoms
2016-05-30
Berk Hess
Add
grom
p
p ch
e
ck for unbound atoms
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fi
x
constants, units and c
o
nve
r
sio
n
factors
commit
|
commitdiff
|
tree
2015-12-09
Teem
u
Murtola
Spli
t
txtdump
.
*, part
1
commit
|
commitdiff
|
tree
2015-12-05
Mag
n
us Lundb
o
rg
Write forces and veloc
i
t
ies to
compressed TN
G
.
commit
|
commitdiff
|
tree
2015-11-22
David van de
r
Spo
e
l
C
l
ea
n
up
s
in
l
e
g
a
cyheader/types/c
o
m
mrec
.
h
commit
|
commitdiff
|
tree
2015-11-20
Mark Abra
h
a
m
Split
w
allcycle int
e
r
f
ac
e
commit
|
commitdiff
|
tree
2015-11-14
Berk Hess
O
ptimi
z
ed the bonded thread force reduct
i
on
commit
|
commitdiff
|
tree
2015-11-12
D
avi
d
van der Spoel
M
oved copyri
t
e
.
* to
fileio f
r
o
m
g
m
xl
i
b
and le
g
acyhead
e
r
s
.
commit
|
commitdiff
|
tree
2015-10-18
David van der Spoel
Moved pbc/cut
-
o
ff
related utilit
i
es from
t
ypedefs to
.
.
.
commit
|
commitdiff
|
tree
2015-10-15
Berk H
e
ss
Fixed nbnxn_4x
N
performa
n
ce regression
commit
|
commitdiff
|
tree
2015-10-07
Ber
k
Hess
Fix bugs with intermol interact
i
on
s
and DD
commit
|
commitdiff
|
tree
2015-10-02
David van
der Sp
o
el
Remove
d
s
imp
l
e
.
h
f
rom nb_kernel_avx_256_X
X
commit
|
commitdiff
|
tree
2015-10-01
T
eemu Murtola
Enable time unit and se
l
ections in ICommandL
i
n
e
O
pt
i
onsModule
commit
|
commitdiff
|
tree
2015-09-29
M
ark A
b
raham
Clean up of tabl
e
s
c
ode
commit
|
commitdiff
|
tree
2015-09-29
M
ark Abraham
Move tables
.
c
to
n
ew
mod
u
le a
n
d C++
commit
|
commitdiff
|
tree
2015-09-22
David
v
an der Spoel
Removed four inc
l
udes from legacyheaders/typedefs
.
h
commit
|
commitdiff
|
tree
2015-07-29
Erik Li
n
dahl
Update naming stand
a
rds t
o
a
voi
d
hungarian notation
.
.
.
commit
|
commitdiff
|
tree
2014-09-22
Mark Abraham
More quotes
commit
|
commitdiff
|
tree
2014-09-22
Eri
k
Lindahl
More quote
s
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtola
Add support for cumulative histograms
commit
|
commitdiff
|
tree
2014-06-13
Ber
k
Hess
Made shells
w
ork with the V
e
rlet scheme
commit
|
commitdiff
|
tree
2014-06-12
Berk
Hess
Made g
m
xcheck
-rmsd work again with
f
o
r
ces
commit
|
commitdiff
|
tree
2014-06-12
Erik
L
ind
a
hl
Make sure genrestr uses
the disre
_
up
2
parameter
commit
|
commitdiff
|
tree
2014-06-12
Erik Lindahl
Re
m
oved u
n
documente
d
-map an
d
-mdata
opt
i
ons
f
r
om g_sha
m
.
commit
|
commitdiff
|
tree
2014-06-12
Erik Lindahl
Always wri
t
e output from genion
commit
|
commitdiff
|
tree
2014-06-11
B
e
rk Hess
Made re
p
l_e
x
time step
mo
r
e readab
l
e
commit
|
commitdiff
|
tree
2014-06-07
Teemu Murtola
Improve (Sel
e
ctio
n
|FileName)OptionManager handling
commit
|
commitdiff
|
tree
2014-06-07
Teem
u
Mur
t
o
l
a
Replace all command line par
s
ing with
Options
commit
|
commitdiff
|
tree
2014-06-07
Teemu
M
urtola
Move residuetype
handling
t
o i
t
s own file
.
commit
|
commitdiff
|
tree
2014-06-07
Teemu
M
urtola
Remo
v
e su
p
port for "
o
ld" index file format
commit
|
commitdiff
|
tree
2014-05-31
M
a
gnus Lu
n
dborg
Bug fix in the TNG li
b
rary to improve reading
.
commit
|
commitdiff
|
tree
2014-05-18
Teemu
Murtola
Move 3dv
i
e
w
.
* to
p
ro
g
rams/
v
iew/
commit
|
commitdiff
|
tree
2014-03-17
Teemu Murtola
Upda
t
e
manual ana
l
y
s
is section
commit
|
commitdiff
|
tree
2014-02-21
Nina Fisc
h
er
Ad
d
e
d
new ambe
r
99sb-
i
ldn
-
bsc0 fo
r
ce field
.
commit
|
commitdiff
|
tree
2014-01-19
Mark Abraham
Cle
a
n up after gmxcpp
commit
|
commitdiff
|
tree