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New and reorganized documentation
2015-02-25
Ma
r
k
A
b
r
a
ham
New and reorgan
i
z
ed documentat
i
on
commit
|
commitdiff
|
tree
2015-02-24
Erik Linda
h
l
A
d
ded AVX-5
1
2ER SIM
D
suppo
r
t
commit
|
commitdiff
|
tree
2015-02-13
Mark A
b
raham
Fix mdrun
-
o
n
ly
b
u
ild
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replace more [BR] with r
s
t
bullet lists
commit
|
commitdiff
|
tree
2015-02-13
Teemu M
u
rtola
Move flow char
t
from old-html to Sphi
n
x
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
M
ake (most) HTML
li
n
ks to file formats work again
commit
|
commitdiff
|
tree
2015-02-13
Teemu
Murt
o
la
C
o
nvert
f
ile format descriptions
to rst
commit
|
commitdiff
|
tree
2015-02-04
Mark Abraha
m
Implemen
t
user gu
i
de
commit
|
commitdiff
|
tree
2015-02-02
Mark Abraha
m
Mer
g
e
b
ranch release-5-0
commit
|
commitdiff
|
tree
2015-02-02
Mark A
b
raha
m
A
v
o
id n
e
a
r
-sile
n
t gene
r
ation of
zero ene
r
gies
commit
|
commitdiff
|
tree
2015-01-23
Jo
h
n Baxter
Cleans up steepest descent initial potential hack
commit
|
commitdiff
|
tree
2015-01-23
Mark Ab
r
aham
Updat
e
FindCUDA work-around
commit
|
commitdiff
|
tree
2015-01-22
John Baxter
Change
d
"struct
swap"
t
o
"
s
truct t_swap"
commit
|
commitdiff
|
tree
2015-01-20
Mark Abraham
Removed gmx_heade
r
_conf
i
g
.
h
commit
|
commitdiff
|
tree
2015-01-15
Ma
r
k
Abraha
m
Merge b
r
an
c
h rel
e
ase-5-0
commit
|
commitdiff
|
tree
2015-01-08
Mark A
b
raham
Handle ivec* co
r
rectly in
DD
e
rror mess
a
ge
commit
|
commitdiff
|
tree
2015-01-05
Teemu Murtola
Support sub
s
et of
r
ve
c
array
a
s
input fo
r
anal
y
sis
.
.
.
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Merge b
r
anch 'release-5-0'
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
R
emovin
g
iteration + constra
i
nts fra
m
e
w
ork
commit
|
commitdiff
|
tree
2014-12-15
Mark Abr
a
ha
m
V
ersion bump
s
after new release
commit
|
commitdiff
|
tree
2014-12-15
M
a
r
k
Abraham
Vers
i
on 5
.
0
.
4
commit
|
commitdiff
|
tree
2014-12-15
Mark Abrah
a
m
Fix constraints chec
k
s in gromp
p
commit
|
commitdiff
|
tree
2014-12-11
Mark Abra
h
a
m
M
e
rge
r
elease-4-6 into r
e
lease-5-0
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Version bum
p
s after new re
l
e
ase
commit
|
commitdiff
|
tree
2014-12-09
Mark
A
braham
Version 5
.
0
.
3
commit
|
commitdiff
|
tree
2014-12-05
Mark Abraham
Move thread
i
ng suppor
t
i
n
to liste
d
-f
o
rces module
commit
|
commitdiff
|
tree
2014-11-27
Mark Abraham
Con
v
ert
r
e
m
aining
callers o
f
do_force to
C++
commit
|
commitdiff
|
tree
2014-11-27
Mark
A
br
a
ham
Merge branch relea
s
e-4-6
i
nto
r
elea
s
e-5-0
commit
|
commitdiff
|
tree
2014-11-26
Roland
S
chulz
Merge re
l
eas
e
-5-0
i
nto
m
aste
r
commit
|
commitdiff
|
tree
2014-11-24
Berk H
e
ss
Avoid N
a
N
in rlist buff
e
r calculation
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Al
l
ow in
c
reasi
n
g CUDA threa
d
block size
commit
|
commitdiff
|
tree
2014-10-17
M
a
r
k
Ab
r
aham
Extend gmock to turn off socket liste
n
er
commit
|
commitdiff
|
tree
2014-10-17
Mark Abraham
Move code to what wi
l
l become the ewald module
commit
|
commitdiff
|
tree
2014-10-15
Mark Abraham
Converted
many integrat
o
r-lo
o
p files to C++
commit
|
commitdiff
|
tree
2014-10-13
M
a
rk A
b
r
a
h
am
M
er
g
e
r
e
l
e
ase-4
-
6 into release
-
5-0
commit
|
commitdiff
|
tree
2014-10-09
Mar
k
Abraham
Fixed mino
r
issue with NPT conserved energy
commit
|
commitdiff
|
tree
2014-10-09
Mark Abraham
C
l
ean up cshake() and re
s
ol
v
e ol
d
issues
commit
|
commitdiff
|
tree
2014-10-06
Mar
k
Abraham
F
i
x
trjconv -spli
t
not closin
g
files
commit
|
commitdiff
|
tree
2014-10-03
M
a
r
k
Abraham
U
n
ite code
f
or handl
i
ng listed pairs
commit
|
commitdiff
|
tree
2014-10-01
Mar
k
Abr
a
h
am
Merge release-5-0 in
t
o master
commit
|
commitdiff
|
tree
2014-10-01
Mark Ab
r
aham
Versi
o
n bumps after
n
ew
r
elease
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
V
e
r
si
o
n
5
.
0
.
2
commit
|
commitdiff
|
tree
2014-10-01
C
arsten Kutzner
Allow g
m
x
tune_pme to
skip the check
for co
m
mand
-
l
ine
.
.
.
commit
|
commitdiff
|
tree
2014-09-23
T
eemu Murtola
Reorganize CPack management
commit
|
commitdiff
|
tree
2014-09-18
Erik Lindahl
Add Powe
r
/
PowerPC VMX SI
M
D
s
upport
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraham
Merg
e
branc
h
rel
e
ase-
4
-
6
i
nto release-5-0
commit
|
commitdiff
|
tree
2014-09-13
Mark A
b
raham
T
each git
that some files are bi
n
ary
commit
|
commitdiff
|
tree
2014-09-11
Mark Abrah
a
m
Remove
documentati
o
n refere
n
ces to optimize
-
fft
commit
|
commitdiff
|
tree
2014-09-11
Mark A
b
rah
a
m
Convert domdec code to C++
commit
|
commitdiff
|
tree
2014-09-11
Te
e
mu
Murt
o
la
Move _GNU_SOUR
C
E to
gmxp
r
e
.
h
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Sort
i
n
c
ludes outside src/gr
o
macs
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murt
o
l
a
Sor
t
all inclu
d
e
s
in sr
c
/
g
romacs
commit
|
commitdiff
|
tree
2014-09-11
Teemu Mu
r
tola
U
s
e ab
s
olu
t
e inc
l
u
de paths in nb
n
xn ker
n
els
commit
|
commitdiff
|
tree
2014-09-11
T
e
emu Murtola
Manual
l
y sort som
e
includes
in
s
rc/gromacs
commit
|
commitdiff
|
tree
2014-09-08
E
r
ik Lindahl
Add 64-bi
t
AArc
h
6
4
asimd SIMD
s
upport
commit
|
commitdiff
|
tree
2014-09-08
Erik Linda
h
l
Add 32-bit
A
RM N
e
on SI
M
D support
commit
|
commitdiff
|
tree
2014-09-05
Mark Ab
r
aham
V
ersion bump
s
after
new
r
elease
commit
|
commitdiff
|
tree
2014-09-05
M
a
rk Abraham
Ver
s
ion 5
.
0
.
1
commit
|
commitdiff
|
tree
2014-09-04
Mark
A
b
raham
Created bonded module
commit
|
commitdiff
|
tree
2014-09-01
M
a
rk
Ab
r
aha
m
M
erge br
a
nch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-08-29
Mark A
b
raham
Version
b
ump
a
fter 4
.
6
.
7
commit
|
commitdiff
|
tree
2014-08-23
Te
e
mu Murtola
B
a
ckpo
r
t of 'R
e
move unused figu
r
es from sha
r
e/ht
m
l/'
commit
|
commitdiff
|
tree
2014-08-17
Mark Abraham
R
emove mdrun
-sep
p
ot
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Version
bump a
f
ter 4
.
6
.
6 release
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Version
b
ump for 5
.
0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abrah
a
m
Add forgotten lice
n
ses to COP
Y
ING
commit
|
commitdiff
|
tree
2014-06-28
Mark Abra
h
am
Merge branc
h
'r
e
lease-4-6' into
r
elease-5-0
commit
|
commitdiff
|
tree
2014-06-26
Roland Sc
h
u
l
z
Merge rel
e
ase-4-6
i
nto
release-5
-
0
commit
|
commitdiff
|
tree
2014-06-24
B
er
k
Hess
F
ixed the sign
o
f
m
a
ss pertur
b
ed contributi
o
n
commit
|
commitdiff
|
tree
2014-06-17
Erik Lindahl
Disabled
re
p
li
c
a exchange when
T
not
i
n orde
r
commit
|
commitdiff
|
tree
2014-06-05
Berk Hes
s
Fixed shi
f
t and s
w
itc
h
mod
i
f
iers, particularly for
.
.
.
commit
|
commitdiff
|
tree
2014-06-02
Mark Abra
h
am
Converted md
.
c to C
+
+
commit
|
commitdiff
|
tree
2014-06-02
Erik Lindahl
Adde
d
g
ro
m
pp checks
f
or zero atom m
a
sses in state B
commit
|
commitdiff
|
tree
2014-06-01
Erik
L
ind
a
hl
T
wo quotes
c
ontributed by Vedr
a
n
M
i
le
t
i
c
commit
|
commitdiff
|
tree
2014-05-27
R
oland Schulz
Merge
r
e
l
e
ase-4-6 into r
e
lea
s
e-5-0
commit
|
commitdiff
|
tree
2014-05-20
Mark Abraham
Fix
copyrig
h
t
year
s
for new cod
e
commit
|
commitdiff
|
tree
2014-05-15
Davi
d
van
der
S
poel
Added cmake
profi
l
ing support
commit
|
commitdiff
|
tree
2014-05-13
Mark
Abraham
Prohi
b
it AVX_256 with buggy gcc 4
.
6
.
1
commit
|
commitdiff
|
tree
2014-04-29
Mark Abraham
M
erge branch releas
e
-4-6
into release-5
-
0
commit
|
commitdiff
|
tree
2014-04-10
Mark
A
braham
Merge branc
h
'release-4-6' in
t
o
rele
a
s
e-5-0
commit
|
commitdiff
|
tree
2014-04-10
Teemu
M
u
rtola
M
ove part of typ
e
s/simp
l
e
.
h
to
u
tility/
commit
|
commitdiff
|
tree
2014-04-07
Ma
r
k Abraham
Version bump
for 5
.
0-rc1
commit
|
commitdiff
|
tree
2014-03-31
Teemu Murtola
R
e
move #include <
.
.
.
> f
o
r local fil
e
s i
n
gmx-view
commit
|
commitdiff
|
tree
2014-03-26
Mark Abrah
a
m
Fi
x
use of inli
n
e
in IM
D
commit
|
commitdiff
|
tree
2014-03-23
Mark
A
b
raha
m
M
e
rge
b
ranch release-4-6
commit
|
commitdiff
|
tree
2014-03-18
Mark
A
braha
m
Rev
e
rt
"Added new amb
e
r99sb-ildn
-
bsc0 fo
r
ce f
i
eld
.
"
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraha
m
House-keeping for MTTK
commit
|
commitdiff
|
tree
2014-03-17
M
a
rk Abraham
Me
r
ge branch release
-
4-6
commit
|
commitdiff
|
tree
2014-03-11
Rosse
n
Aposto
l
ov
Rem
o
v
e
d
.
itp file
s
f
rom top level
d
ir
e
ctory
.
commit
|
commitdiff
|
tree
2014-03-06
Mark Abraha
m
F
i
x formatting in install guide
commit
|
commitdiff
|
tree
2014-03-06
Mark A
b
raham
Fix CMak
e
syntax e
r
r
or
commit
|
commitdiff
|
tree
2014-03-03
Mark
Ab
r
aham
Fi
x
ca
l
ling SIMD
g
roup kernels
commit
|
commitdiff
|
tree
2014-02-26
Rola
n
d
S
c
hulz
Use reduce
i
n
pme
commit
|
commitdiff
|
tree
2014-02-26
Er
i
k Lindah
l
Redesigned SIMD module and unit tests
.
commit
|
commitdiff
|
tree
2014-02-24
Be
r
k Hess
Implemented LJ-PME
nbnxn
ke
r
nels
commit
|
commitdiff
|
tree
2014-02-21
Szilard Pall
p
ortability aspect
s
i
n
insta
l
l guide
+ mino
r
tweaks
commit
|
commitdiff
|
tree
2014-02-19
Berk Hess
Implemente
d
nbnxn LJ swit
c
h functions
commit
|
commitdiff
|
tree
2014-02-18
Mark Abraham
Fix outstandin
g
r
e
f
e
r
e
n
c
es to
"
CPU acceleration"
commit
|
commitdiff
|
tree
2014-02-18
M
ar
k
Abrah
a
m
E
x
tend TestFileMana
g
er
commit
|
commitdiff
|
tree
2014-02-16
Mark
Abr
a
ham
Fix
t
est ref
e
rence data accidenta
l
l
y
broke
n
commit
|
commitdiff
|
tree
next