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
Conditional tweak in the nonbonded GPU kernels
2017-03-14
Mark Abraham
M
e
rge
branch release-
2
01
6
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bumped version to prepare fo
r
next patch release
commit
|
commitdiff
|
tree
2017-03-13
M
a
r
k
Ab
r
aham
Version 201
6
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark A
b
raha
m
Moderniz
e
wr
i
t
e
_
i
npfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize r
e
a
d
_inpfi
l
e
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
b
r
a
h
a
m
Tests for grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mark A
b
ra
h
am
Refactor GPU select
i
on handling
commit
|
commitdiff
|
tree
2017-03-07
Mark
A
braham
Fix
m
inor issues in gmx traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abra
h
am
Fixes
for x
l
compilers 13
.
1
.
5 on Po
w
er8
commit
|
commitdiff
|
tree
2017-02-20
Ma
r
k
Abraham
Add te
s
t
s
for old gmx energy
f
unctionality
commit
|
commitdiff
|
tree
2017-02-17
M
a
r
k
Abraha
m
Use gmx::M
u
tex and
g
mx::lock_guard
t
o fix some i
s
sues
commit
|
commitdiff
|
tree
2017-02-15
Mark
Abraham
Merge bra
n
c
h relea
s
e-5-1 into release-201
6
commit
|
commitdiff
|
tree
2017-02-14
Ma
r
k
A
braha
m
F
i
x h
a
ndling
of previous virials
commit
|
commitdiff
|
tree
2017-02-14
Mark Abrah
a
m
Reduce
compi
l
ation coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Corrected
o
utput of gmx do_dss
p
-
sc
commit
|
commitdiff
|
tree
2017-02-09
Mark
Abraham
Com
p
l
e
te the re
m
o
v
al of s
t
at
e
ful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abra
h
am
Improved
s
t
ate_ch
a
nge_natoms and used
it more
commit
|
commitdiff
|
tree
2017-02-09
Mark
A
braham
Remove EST_DISTR from
state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enhance warni
n
p
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Exte
n
d seria
l
ization
t
o gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abraham
R
e
mo
v
e doc
s
for unim
p
lemented
trjconv
-
cluste
r
center
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
C
reate applied-for
c
es module
g
rou
p
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
raham
Gi
v
e MDM
o
dules responsibility
f
or option handling
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Merge
b
ranch re
l
ea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
Bum
p
ed versio
n
to p
r
epare for next
patch r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k A
b
raham
Int
r
oduced
system prepara
t
ion section to
u
ser g
u
ide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
V
e
rsi
o
n 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abr
a
h
a
m
M
e
rge branch release-5-1 i
n
to
rel
e
ase-
2
016
commit
|
commitdiff
|
tree
2017-02-03
M
ark
A
brah
a
m
R
e
mo
v
e ty
p
ed
e
f
struct in so
m
e m
d
types fi
l
es
commit
|
commitdiff
|
tree
2017-02-02
Mark Ab
r
aha
m
Clarify u
s
e of tau-p and pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
M
a
r
k Ab
r
aham
Merge br
a
nch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraha
m
Fix multi-d
o
main r
e
runs
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk Abraham
Don't print invalid pe
r
formance data
commit
|
commitdiff
|
tree
2017-01-23
Mar
k
Abraham
Stopped
hea
d
er files in
c
luding state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark
A
braham
Fixed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k Abraham
Removed init_sta
t
e
commit
|
commitdiff
|
tree
2017-01-20
Mark A
b
raham
Initialize GM
X
_*_LIBRA
R
I
E
S c
m
ake vari
a
ble
s
earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
Merg
e
branch relea
s
e-2016
commit
|
commitdiff
|
tree
2017-01-06
M
a
rk Abraham
D
o
cumen
t
ISerializer
c
lass
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k
Abr
a
ham
Stop trying to use objd
u
mp --re
l
oc on
Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix documentation of Optio
n
sVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mar
k
Abrah
a
m
Merge branch release-5-1
i
n
t
o release-201
6
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected
documentati
o
n about eigenvalue handling
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k Abraham
I
m
prove build sy
s
tem for
plugin support
commit
|
commitdiff
|
tree
2016-12-20
Mark A
b
raham
Sanitize some include
h
eaders
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Abraha
m
Merg
e
b
r
a
nch rel
e
ase-2
0
1
6
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k
Abraham
Re
m
oved support f
o
r
mu
l
tiple ent
r
ies in
mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
H
andle warninp c
o
rrectly in xpm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
Mar
k
Abr
a
h
am
Fix
m
islea
d
ing paralle
l
ization docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Ma
r
k Abra
h
am
Fix logic of TRR reading
commit
|
commitdiff
|
tree
2016-12-09
M
ark Abraham
Remo
v
e nxframe from t_trxstat
u
s
commit
|
commitdiff
|
tree
2016-12-08
Mark
Ab
r
aham
Consolidate file
s
sup
p
orting TNG f
i
le I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark A
b
raham
Me
r
ge
b
r
anch r
e
l
ease-2016
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix m
e
mo
r
y handling in gmx d
u
mp
o
f T
N
G
f
iles
commit
|
commitdiff
|
tree
2016-12-05
Mark Abrah
a
m
Rem
o
ve u
n
due nar
r
owing o
f
i
ntege
r
in TNG readi
n
g
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Add INSTALL-dev to ai
d
p
e
o
ple d
o
ing unu
s
ual bu
i
lds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abra
h
am
Fix minor trjconv bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
Stop
i
ncluding
tng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
braham
Enhanced Ar
r
a
yR
e
f
commit
|
commitdiff
|
tree
2016-11-16
M
ark Abr
a
ham
Cr
e
ated paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
ark
Abra
h
am
Remove unimplemented gmx t
r
jcat
-
vel
commit
|
commitdiff
|
tree
2016-10-31
Mark A
b
raham
Merge bra
n
ch releas
e
-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark A
b
ra
h
a
m
Merge branch release-2
0
1
6
commit
|
commitdiff
|
tree
2016-10-28
Mark Abrah
a
m
Bum
p
ed v
e
rsion to prepar
e
for next
p
a
t
ch rele
a
se
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k Abraham
V
er
s
ion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update insta
l
l
g
u
ide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update cppch
e
ck supp
o
rt
t
o
1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark
Abraham
Upgrad
e
coverage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
F
i
x
SI
M
D sug
g
es
t
ion f
o
r
V
M
X
commit
|
commitdiff
|
tree
2016-10-12
Mark
Abraha
m
Ma
k
e reg
r
es
s
iontests updater build work for mas
t
er
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Ma
r
k Abraha
m
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Ma
r
k Abraham
Merge "Mer
g
e
branch rel
e
ase-2016
"
commit
|
commitdiff
|
tree
2016-10-09
M
ark
Ab
r
ah
a
m
Merge
branch rel
e
as
e
-
2016
commit
|
commitdiff
|
tree
2016-10-07
Mark
Abra
h
a
m
Ad
d
scrip
t
for
J
enkins r
e
gressi
o
ntest update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branch release-5-1 into release-
2
016
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
braham
Rep
l
ac
e
use of de
p
recated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abrah
a
m
Preliminary
c
lean up of NVML
c
o
d
e
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
br
a
h
am
Merge branch r
e
l
e
ase-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Bumped patch number to prepare for future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k
Abraham
Ve
r
sion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
Remo
v
e
d
HIS1
f
rom opls
a
a and charm
m
definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
braham
Fix
L
Y
N ch
a
r
g
es in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraha
m
Fix ambe
r
03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraham
W
or
k
around glibc 2
.
2
3
with CUDA
commit
|
commitdiff
|
tree
2016-08-27
M
ar
k
Abraha
m
S
t
op us
i
ng gmx_f
a
ta
l
in g
r
o
mp
p
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remove hacks f
o
r
outdated B
l
ueGene support
commit
|
commitdiff
|
tree
2016-08-15
Mark Abr
a
ha
m
Me
r
ge
b
ranc
h
release-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Fixes for BG/Q pla
t
form files and in
s
t
a
ll gu
i
de
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump n
u
mber to pr
e
pare f
o
r
first pa
t
ch release
commit
|
commitdiff
|
tree
2016-08-04
Mark Ab
r
a
h
am
V
e
rsion
2016
commit
|
commitdiff
|
tree
2016-07-29
Ma
r
k Abraham
Im
p
rove handling of gmock
a
n
d g
c
c6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge branch release-5-1
i
n
t
o
release-2016
commit
|
commitdiff
|
tree
2016-07-28
Ma
r
k Ab
r
aham
Add toolchain flags for SS
E
2 compila
t
ion
commit
|
commitdiff
|
tree
2016-07-21
Mark Abrah
a
m
Bumped patch number t
o
prepa
r
e for futur
e
5
.
1
.
4 releas
e
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix i
s
sues with using int for number of s
t
eps
commit
|
commitdiff
|
tree
2016-07-13
Mark Abraham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
a
r
k Abraham
Merge branch releas
e
-20
1
6
commit
|
commitdiff
|
tree
2016-07-12
Mar
k
Abraham
Fix trr magic number rea
d
ing
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix gmx mdrun -membed
-n
t
mpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
F
ix reg
r
es
s
i
on
t
est
download md5su
m
commit
|
commitdiff
|
tree
next