opes.zip
OPES.cpp
30.3 kB
ala2
Build-fes_from_prob.py
2.2 kB
get_fes_running-metad.sh
1.2 kB
get_fes_running.sh
1.2 kB
inputs
README
110 Bytes
input.0.tpr
12.6 kB
input.1.tpr
12.6 kB
input.2.tpr
12.6 kB
input.3.tpr
12.6 kB
input.4.tpr
12.6 kB
input.5.tpr
12.6 kB
input.6.tpr
12.6 kB
input.7.tpr
12.6 kB
input.8.tpr
12.6 kB
input.9.tpr
12.6 kB
input.tpr
12.6 kB
plumed-conv.dat
379 Bytes
plumed-expl.dat
378 Bytes
plumed-metad.dat
396 Bytes
queue_gromax.sh
1.9 kB
ala3
Reweight-ala3.py
1.7 kB
input.tpr
18.1 kB
plumed-conv3.dat
508 Bytes
plumed-conv6.dat
565 Bytes
plumed-expl3.dat
508 Bytes
plumed-expl6.dat
564 Bytes
model
conv-model
Build-fes_running.py
5.4 kB
Reweight-multi.py
2.6 kB
analize_all.sh
772 Bytes
loop_all.sh
201 Bytes
plumed.dat
267 Bytes
queue_md.sh
1.3 kB
expl-model
Build-fes_running.py
5.4 kB
Reweight-multi.py
2.6 kB
analize_all.sh
772 Bytes
loop_all.sh
201 Bytes
plumed.dat
266 Bytes
queue_md.sh
1.3 kB
inputs
md_input.0.dat
1.1 kB
md_input.1.dat
1.1 kB
md_input.2.dat
1.1 kB
md_input.3.dat
1.1 kB
md_input.4.dat
1.1 kB
md_input.5.dat
1.1 kB
md_input.6.dat
1.1 kB
md_input.7.dat
1.1 kB
md_input.8.dat
1.1 kB
md_input.9.dat
1.1 kB
md_potential.dat
894 Bytes
metad-model
Build-fes_running-metad.py
3.3 kB
Reweight-multi-metad.py
2.6 kB
analize_all.sh
811 Bytes
loop_all.sh
201 Bytes
plumed.dat
365 Bytes
queue_md.sh
1.3 kB
ref_fes-model.data
4.3 kB
static-model
Reweight-multi.py
2.6 kB
analize_all.sh
774 Bytes
loop_all.sh
201 Bytes
modelFES.grid
43.4 kB
plumed.dat
225 Bytes
queue_md.sh
1.3 kB
model2
Transitions.sh
939 Bytes
conv-model2
loop_all.sh
201 Bytes
plumed.dat
274 Bytes
queue_md.sh
1.3 kB
expl-model2
loop_all.sh
201 Bytes
plumed.dat
273 Bytes
queue_md.sh
1.3 kB
inputs
md_input.0.dat
873 Bytes
md_input.1.dat
874 Bytes
md_input.2.dat
874 Bytes
md_input.3.dat
873 Bytes
md_input.4.dat
873 Bytes
md_input.5.dat
875 Bytes
md_input.6.dat
876 Bytes
md_input.7.dat
874 Bytes
md_input.8.dat
870 Bytes
md_input.9.dat
874 Bytes
md_potential2.dat
681 Bytes
metad-model2
loop_all.sh
201 Bytes
plumed.dat
338 Bytes
queue_md.sh
1.3 kB
nonTmetad-model2
loop_all.sh
201 Bytes
plumed.dat
359 Bytes
queue_md.sh
1.3 kB
static-model2
loop_all.sh
201 Bytes
model2FES.grid
43.2 kB
plumed.dat
239 Bytes
queue_md.sh
1.3 kB
na
Build-fes_running-metad.sh
487 Bytes
Build-fes_running-opes.py
5.3 kB
DebyeStructureFactor.cpp
20.8 kB
Na_MendelevM_2014.eam.fs
762.3 kB
Reweight.py
2.8 kB
from_liquid
input.lmp
2.2 kB
plumed-conv.dat
524 Bytes
plumed-expl.dat
398 Bytes
plumed-metad.dat
460 Bytes
queue_lammps.sh
1.4 kB
restart.liq
35.1 kB
from_solid
input.lmp
2.3 kB
plumed-conv.dat
413 Bytes
plumed-expl.dat
412 Bytes
plumed-metad.dat
474 Bytes
queue_lammps.sh
1.6 kB
restart.0.bcc
35.0 kB
restart.1.bcc
35.0 kB
restart.2.bcc
35.0 kB
restart.3.bcc
35.0 kB