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
Update clang-4
2017-05-14
Mark Abra
h
am
Update cl
a
ng-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
M
erge br
a
nch r
e
l
ease-20
1
6
commit
|
commitdiff
|
tree
2017-05-09
Mark Ab
r
aham
Cleaned up mem
o
ry usa
g
e in gmx tr
a
j and trj
c
on
v
commit
|
commitdiff
|
tree
2017-04-22
M
ar
k
Ab
r
a
ha
m
Clea
n
u
p
memory usage with
oenv and xvg
w
rit
i
ng
commit
|
commitdiff
|
tree
2017-04-17
M
a
r
k
Ab
r
ah
a
m
Mino
r
c
h
ange
t
o
GPU co
m
patibility r
e
p
orting handling
commit
|
commitdiff
|
tree
2017-04-17
M
ark Ab
r
aham
Prop
o
se
a
pos
t
-
s
ubmit m
a
tri
x
commit
|
commitdiff
|
tree
2017-04-03
Mark A
b
raham
Remove
d
o_pbc
_
first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abraham
M
erge bra
n
ch
r
e
lease-20
1
6
commit
|
commitdiff
|
tree
2017-03-29
M
a
rk Ab
r
a
h
am
Fix p
a
rameter description for dihedr
a
l_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add
section
t
o user guide for
managing simulat
i
ons
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
Fi
x
string ha
n
dl
i
ng for
g
cc 7
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abraham
Merge bra
n
ch release-
2
016
commit
|
commitdiff
|
tree
2017-03-14
Mark
A
b
ra
h
a
m
Bumped
vers
i
on
t
o pr
e
pare f
o
r
n
e
xt patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Ab
r
aham
V
e
rsion 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize w
r
it
e
_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
br
a
h
am
Modernize read
_
inpfile
commit
|
commitdiff
|
tree
2017-03-13
M
a
r
k Ab
r
aha
m
Tes
t
s for
g
r
ompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mark Abra
h
am
R
efactor G
P
U se
l
ec
t
ion
handling
commit
|
commitdiff
|
tree
2017-03-07
Ma
r
k A
b
rah
a
m
Fix
mino
r
issues in gmx
traj -av -a
f
commit
|
commitdiff
|
tree
2017-03-04
Ma
r
k Abraha
m
Fixe
s
for x
l
c
ompilers
1
3
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abraham
Add tes
t
s f
o
r old gm
x
energ
y
function
a
li
t
y
commit
|
commitdiff
|
tree
2017-02-17
Mar
k
Abraham
U
se gmx::Mutex and gmx::lock_guard to fix som
e
issue
s
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merg
e
br
a
nch
r
eleas
e
-5
-
1
into rele
a
s
e-2016
commit
|
commitdiff
|
tree
2017-02-14
Mar
k
Abraham
Fix
handling of previou
s
v
irials
commit
|
commitdiff
|
tree
2017-02-14
Ma
r
k Abraham
Reduce compilatio
n
c
oupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Ab
r
aham
C
o
rrected o
u
tput of
gmx do_dssp
-sc
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Ab
r
aham
Complete the remova
l
o
f stateful RNG
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abraham
Improved stat
e
_change_nato
m
s
a
nd used it more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Rem
o
ve
E
ST_DIST
R
from
state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark
Abraham
Enhan
c
e warninp
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abraham
Ex
t
end
serialization to gmx_int6
4
_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Remove d
o
cs
f
or
u
nimplemented trjconv -clusterce
n
ter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Create a
p
plied-f
o
r
c
e
s
module group
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Give MDModules
respon
s
ibility for optio
n
ha
n
dli
n
g
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abraham
Merge bran
c
h release-
2
016
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Bumpe
d
v
e
rsion to pre
p
a
re fo
r
ne
x
t patch r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
b
raham
I
ntroduced
s
ys
t
e
m
preparation
s
e
c
tion
to
u
ser guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Vers
i
on 20
1
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
ar
k
Abrah
a
m
Mer
g
e branch release-5-1 into releas
e
-2
0
16
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraham
R
emove typedef struc
t
in
s
ome md
t
ypes fil
e
s
commit
|
commitdiff
|
tree
2017-02-02
M
ark Abr
a
ham
Clarify u
s
e
o
f tau-p and pcoupl
t
y
pe
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge branch rel
e
ase
-
5-1 into re
l
ease
-
2016
commit
|
commitdiff
|
tree
2017-01-30
Mar
k
A
b
rah
a
m
Fix multi-
d
o
main reru
n
s
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don
'
t
print invalid perf
o
r
mance data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abrah
a
m
S
topped header files incl
u
ding state
.
h
commit
|
commitdiff
|
tree
2017-01-22
M
ark Abraham
Fixed gmx rmsf
-q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark
Ab
r
aham
Removed init_st
a
te
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraha
m
Initialize GM
X
_*_L
I
B
RARIES cmake vari
a
ble
s
ear
l
ier
commit
|
commitdiff
|
tree
2017-01-14
Mar
k
A
b
r
a
ha
m
Merge b
r
anch release-20
1
6
commit
|
commitdiff
|
tree
2017-01-06
M
ark Abraham
Document ISerializer class
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k Ab
r
a
h
am
Stop
t
rying to
use o
b
jdump --reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
M
a
r
k
A
b
raham
Fix documentation of Opti
o
nsVisito
r
commit
|
commitdiff
|
tree
2017-01-03
Mark Abra
h
am
Merge b
r
anch rel
e
ase-5-1
i
nto rel
e
a
s
e-2016
commit
|
commitdiff
|
tree
2016-12-20
M
a
r
k
Abraham
Corre
c
ted docu
m
entation
a
bou
t
e
i
ge
n
value handling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Improve
build system for pl
u
gin support
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Sanitize some in
c
lude head
e
rs
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Abraham
M
e
rge b
r
anch
r
e
lease-2
0
16
commit
|
commitdiff
|
tree
2016-12-15
M
a
rk Abraham
Remove
d
suppor
t
for multiple entrie
s
in mdp fi
l
es
commit
|
commitdiff
|
tree
2016-12-15
Mark Abr
a
ham
Hand
l
e w
a
rninp
c
o
rrectly
i
n xp
m
2ps and mem
b
e
d
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraha
m
Fix misleadi
n
g pa
r
allelizatio
n
docs for
gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abra
h
a
m
Fix logic o
f
TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abrah
a
m
Remove nxframe
f
rom t_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abraham
Consolidate files supporting TNG file I
/
O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2016-12-07
Mark A
b
raham
Fix me
m
ory
handling i
n
g
m
x d
u
m
p of TNG f
i
les
commit
|
commitdiff
|
tree
2016-12-05
Mar
k
A
b
r
a
ham
Remove undu
e
narr
o
wing of integer in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Ma
r
k
Abraham
Add INSTALL-dev to aid
peop
l
e
doing unusual builds
commit
|
commitdiff
|
tree
2016-12-01
M
ark Ab
r
aham
Fix mi
n
or t
r
j
c
onv bug
commit
|
commitdiff
|
tree
2016-11-23
Ma
r
k A
b
raham
Sto
p
including tng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abra
h
am
Enhanced Ar
r
ayRef
commit
|
commitdiff
|
tree
2016-11-16
Mar
k
Abrah
a
m
C
r
eated padded
v
ector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark A
b
raham
Remove unimpl
e
mented gmx trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
M
e
rge b
r
anch release-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Merge branch
release-2016
commit
|
commitdiff
|
tree
2016-10-28
M
a
rk Abraham
Bumped versi
o
n to prepar
e
for
n
ext patch r
e
leas
e
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k Abraham
V
ersion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mar
k
Abraham
Update i
n
s
tall guide
commit
|
commitdiff
|
tree
2016-10-21
Mar
k
Abraham
Upda
t
e
cpp
c
heck
support t
o
1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
M
ark
Abraham
Upgr
a
de
c
o
verage
m
a
t
rix
.
commit
|
commitdiff
|
tree
2016-10-18
Mar
k
Abrah
a
m
Fix SIMD sug
g
estion for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Ab
r
aham
Ma
k
e
regression
t
e
s
ts upda
t
er build w
o
rk f
o
r master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraham
Updat
e
for FFT
W
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mar
k
Abraham
M
e
r
g
e "Merge branch release-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark
A
braham
Merg
e
bra
n
ch rele
a
s
e-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraha
m
A
dd
script fo
r
Jenkin
s
regression
t
est
u
pdate
job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
bra
h
am
Merge bra
n
ch
release-5-1 into
r
elease-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
braha
m
Re
p
lac
e
use of deprec
a
te
d
readdir
_
r
commit
|
commitdiff
|
tree
2016-09-12
M
a
rk
Abraham
Pr
e
li
m
i
n
ar
y
clean u
p
of
N
V
M
L code
commit
|
commitdiff
|
tree
2016-09-08
Ma
r
k Abraham
Me
r
ge br
a
nc
h
r
e
lea
s
e-5-1 i
n
to
r
eleas
e
-201
6
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
bra
h
a
m
Bumped patch
n
umber to
p
repa
r
e for future
5
.
1
.
5
release
commit
|
commitdiff
|
tree
2016-09-07
Mark
Abraha
m
Vers
i
on 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
M
ark
Abraham
Removed H
I
S1 fr
o
m
oplsaa and charmm
d
ef
i
n
i
tions
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k Abrah
a
m
Fix LYN charges in a
m
be
r
0
3
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix amber03 HIP
charges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abra
h
am
Work
a
round g
l
ibc 2
.
2
3 with CUDA
commit
|
commitdiff
|
tree
2016-08-27
Mark Abraham
Stop
u
sing gmx_fatal i
n
grompp
commit
|
commitdiff
|
tree
2016-08-24
Ma
r
k Abrah
a
m
R
e
mo
v
e
h
acks for outdated B
l
ueGene support
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Merge
b
ran
c
h release-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abra
h
am
Fix
e
s
f
or BG/Q
p
latform files and in
s
tal
l
guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Ab
r
ah
a
m
Bump n
u
m
b
er
to prepare for firs
t
p
a
tch release
commit
|
commitdiff
|
tree
next