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Add tests for gmx mindist
2019-01-18
Kevin
B
o
yd
A
d
d test
s
for gmx mindist
commit
|
commitdiff
|
tree
2018-12-20
David
v
an der Spoel
Removed t_topology
f
ro
m
gmx
m
s
d
commit
|
commitdiff
|
tree
2018-12-12
Szil
á
rd Páll
Improve DLB re
p
ort/
n
o
te
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
Use more const references in topolo
g
y
c
ode
commit
|
commitdiff
|
tree
2018-12-06
b
oristim
Updates to do_dssp
commit
|
commitdiff
|
tree
2018-10-03
Mark
Abraha
m
Ba
s
ic mo
d
ernizatio
n
of md5
h
andling
commit
|
commitdiff
|
tree
2018-08-30
Christian
Blau
Co
n
vert ess
e
n
tia
l
d
ynam
i
c
s
C-structs to
C++ pt1
.
commit
|
commitdiff
|
tree
2018-08-20
Berk
He
s
s
Make gmx_ga2la_t a
p
r
o
per cl
a
ss
commit
|
commitdiff
|
tree
2018-08-17
Berk Hess
Make p
u
ll pbc atom
u
se LocalAtom
S
e
t
commit
|
commitdiff
|
tree
2018-08-14
Roland Sch
u
lz
Remove BasicVector
.
as
_
vec
commit
|
commitdiff
|
tree
2018-08-10
Kevin Boyd
Added
physical validation document to t
h
e dev ma
n
ual
.
commit
|
commitdiff
|
tree
2018-08-09
C
hristian Blau
R
e
move Deb
u
g Helpers from
Essential
Dy
n
amics code
.
commit
|
commitdiff
|
tree
2018-08-08
Chr
i
stian
B
lau
Essential dynamics functions use const-re
f
for in
p
ut
.
.
.
commit
|
commitdiff
|
tree
2018-08-08
Christian Blau
Split e
s
sential dy
n
a
m
ics eigenvector
r
e
ading
.
commit
|
commitdiff
|
tree
2018-08-08
Christian Blau
Make essential dy
n
a
m
i
cs
a C++ type
.
commit
|
commitdiff
|
tree