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Refactor preprocessing atom types.
2019-03-08
Paul Bauer
R
e
facto
r
preprocessing atom types
.
commit
|
commitdiff
|
tree
2019-03-07
Mark Abraha
m
Ne
w
tests for pd
b
2gmx and
e
ditconf
commit
|
commitdiff
|
tree
2019-02-27
M
ark Abraham
Keep niche CMake variables as advanced
commit
|
commitdiff
|
tree
2019-02-25
Mark Abraham
Move co
d
e out of sim_util
.
cpp
commit
|
commitdiff
|
tree
2019-02-15
Paul Bauer
Fix memory
l
eak
s
in
editconf
commit
|
commitdiff
|
tree
2019-02-14
Mark Abraham
Fix use of se
l
e
c
tions referri
n
g to index groups
commit
|
commitdiff
|
tree
2019-02-14
Mark Abraha
m
Revert ch
a
ng
e
s to implementation
o
f in
s
e
rt-mol
e
cules
.
.
.
commit
|
commitdiff
|
tree
2019-02-13
Paul Bauer
Refactor rtp renami
n
g
commit
|
commitdiff
|
tree
2019-02-13
Mark Abraham
Make EnergyOutput w
r
apper cl
a
ss
commit
|
commitdiff
|
tree
2019-02-08
Mark
A
braham
Remove copy_energy from e
n
ergy-writing steps
commit
|
commitdiff
|
tree
2019-02-07
Roland Schu
l
z
Ad
d
ssiz
e
and
r
emove
s
tatic
_
ca
s
ts
commit
|
commitdiff
|
tree
2019-01-25
Mark Ab
r
a
ham
Unify regex implemen
t
at
i
on
commit
|
commitdiff
|
tree
2019-01-24
Christian Blau
Remove
e
xtra semicolons causi
n
g
cla
n
g warnin
g
s
.
commit
|
commitdiff
|
tree
2019-01-18
Kevi
n
Boyd
A
dd tests
f
or gmx mindis
t
commit
|
commitdiff
|
tree
2018-12-20
Davi
d
van der Sp
o
el
R
e
moved t_topo
l
o
gy from gmx ms
d
commit
|
commitdiff
|
tree
2018-12-12
Szilárd P
á
ll
Im
p
rov
e
DLB rep
o
r
t/note
commit
|
commitdiff
|
tree
2018-12-10
Paul Bauer
Us
e
more c
o
nst referenc
e
s
i
n top
o
l
ogy code
commit
|
commitdiff
|
tree
2018-12-06
b
o
r
istim
Upd
a
tes to do_ds
s
p
commit
|
commitdiff
|
tree
2018-10-03
Mark Abraham
B
a
sic modern
i
zati
o
n of md
5
h
a
ndling
commit
|
commitdiff
|
tree
2018-08-30
Christian
Blau
Convert essential dyn
a
m
i
cs C-structs to C++ pt1
.
commit
|
commitdiff
|
tree
2018-08-20
Berk He
s
s
Make
g
mx_ga2la
_
t
a
proper c
l
ass
commit
|
commitdiff
|
tree
2018-08-17
Ber
k
Hess
Make pull
p
bc atom use Lo
c
a
lAtomSet
commit
|
commitdiff
|
tree
2018-08-14
Roland Schulz
Re
m
o
ve
B
asi
c
V
e
c
tor
.
as_vec
commit
|
commitdiff
|
tree
2018-08-10
Ke
v
i
n
Boy
d
Added ph
y
s
i
c
al
validati
o
n document to the dev manual
.
commit
|
commitdiff
|
tree
2018-08-09
C
hristian Blau
Rem
o
ve D
e
bug
Helpers from Essential Dynamics code
.
commit
|
commitdiff
|
tree
2018-08-08
C
hris
t
i
a
n Bla
u
Es
s
en
t
i
a
l
dynamics fun
c
ti
o
ns use const-r
e
f for input
.
.
.
commit
|
commitdiff
|
tree
2018-08-08
Ch
r
istian Bl
a
u
Sp
l
i
t
essential dynamics eigenvector
reading
.
commit
|
commitdiff
|
tree
2018-08-08
Christi
a
n Blau
M
a
k
e
e
ssen
t
ial dynamics
a C++
type
.
commit
|
commitdiff
|
tree