deep-ves-data.zip
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deep_ves-data
0_code
NeuralNetworkVes.cpp
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1_wolfe_quapp_potential
multiple_replicas_results
nn_fes
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fes.iter-8000.6
2.5 kB
fes.iter-8000.7
2.5 kB
fes.iter-9000.0
2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
fes.iter-9000.5
2.5 kB
fes.iter-9000.6
2.5 kB
fes.iter-9000.7
2.5 kB
reweight
reweight-175000.0
7.8 kB
reweight-175000.1
7.8 kB
reweight-175000.2
7.8 kB
reweight-175000.3
7.8 kB
reweight-175000.4
7.8 kB
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7.8 kB
reweight-175000.6
7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
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reweight-375000.2
7.8 kB
reweight-375000.3
7.8 kB
reweight-375000.4
7.8 kB
reweight-375000.5
7.8 kB
reweight-375000.6
7.8 kB
reweight-375000.7
7.8 kB
reweight-400000.0
7.8 kB
reweight-400000.1
7.8 kB
reweight-400000.2
7.8 kB
reweight-400000.3
7.8 kB
reweight-400000.4
7.8 kB
reweight-400000.5
7.8 kB
reweight-400000.6
7.8 kB
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7.8 kB
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7.8 kB
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reweight-425000.2
7.8 kB
reweight-425000.3
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reweight-425000.4
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reweight-425000.5
7.8 kB
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7.8 kB
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7.8 kB
reweight-450000.0
7.8 kB
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reweight-450000.2
7.8 kB
reweight-450000.3
7.8 kB
reweight-450000.4
7.8 kB
reweight-450000.5
7.8 kB
reweight-450000.6
7.8 kB
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7.8 kB
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7.8 kB
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7.8 kB
reweight-475000.2
7.8 kB
reweight-475000.3
7.8 kB
reweight-475000.4
7.8 kB
reweight-475000.5
7.8 kB
reweight-475000.6
7.8 kB
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7.8 kB
reweight-500000.0
7.8 kB
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7.8 kB
reweight-500000.2
7.8 kB
reweight-500000.3
7.8 kB
reweight-500000.4
7.8 kB
reweight-500000.5
7.8 kB
reweight-500000.6
7.8 kB
reweight-500000.7
7.8 kB
single_replica
inputs
md_input
588 Bytes
md_potential
1.8 kB
plmd-reweight.dat
337 Bytes
plumed.dat
428 Bytes
results
COLVAR.3
21.4 MB
bias.iter-1000.3
2.6 kB
bias.iter-10000.3
2.6 kB
bias.iter-11000.3
2.6 kB
bias.iter-12000.3
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2.6 kB
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2.6 kB
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bias.iter-3000.3
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2.6 kB
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2.6 kB
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2.5 kB
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2.5 kB
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fes.iter-19000.3
2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
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fes.iter-38000.3
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2.5 kB
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2.5 kB
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2.5 kB
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2.5 kB
fes.iter-7000.3
2.5 kB
fes.iter-8000.3
2.5 kB
fes.iter-9000.3
2.5 kB
hist.iter-1000.3
2.7 kB
hist.iter-10000.3
2.7 kB
hist.iter-11000.3
2.7 kB
hist.iter-12000.3
2.7 kB
hist.iter-13000.3
2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
hist.iter-22000.3
2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
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2.7 kB
hist.iter-5000.3
2.7 kB
hist.iter-50000.3
2.7 kB
hist.iter-51000.3
2.7 kB
hist.iter-52000.3
2.7 kB
hist.iter-53000.3
2.7 kB
hist.iter-54000.3
2.7 kB
hist.iter-55000.3
2.7 kB
hist.iter-56000.3
2.7 kB
hist.iter-57000.3
2.7 kB
hist.iter-6000.3
2.7 kB
hist.iter-7000.3
2.7 kB
hist.iter-8000.3
2.7 kB
hist.iter-9000.3
2.7 kB
reweight-175000.3
7.8 kB
reweight-200000.3
7.8 kB
reweight-225000.3
7.8 kB
reweight-250000.3
7.8 kB
reweight-275000.3
7.8 kB
reweight-300000.3
7.8 kB
reweight-325000.3
7.8 kB
reweight-350000.3
7.8 kB
reweight-375000.3
7.8 kB
reweight-400000.3
7.8 kB
reweight-425000.3
7.8 kB
reweight-450000.3
7.8 kB
reweight-475000.3
7.8 kB
reweight-500000.3
7.8 kB
target.iter-1000.3
2.5 kB
target.iter-10000.3
2.5 kB
target.iter-11000.3
2.5 kB
target.iter-12000.3
2.5 kB
target.iter-13000.3
2.5 kB
target.iter-14000.3
2.5 kB
target.iter-15000.3
2.5 kB
target.iter-16000.3
2.5 kB
target.iter-17000.3
2.5 kB
target.iter-18000.3
2.5 kB
target.iter-19000.3
2.5 kB
target.iter-2000.3
2.5 kB
target.iter-20000.3
2.5 kB
target.iter-21000.3
2.5 kB
target.iter-22000.3
2.5 kB
target.iter-23000.3
2.5 kB
target.iter-24000.3
2.5 kB
target.iter-25000.3
2.5 kB
target.iter-26000.3
2.5 kB
target.iter-27000.3
2.5 kB
target.iter-28000.3
2.5 kB
target.iter-29000.3
2.5 kB
target.iter-3000.3
2.5 kB
target.iter-30000.3
2.5 kB
target.iter-31000.3
2.5 kB
target.iter-32000.3
2.5 kB
target.iter-33000.3
2.5 kB
target.iter-34000.3
2.5 kB
target.iter-35000.3
2.5 kB
target.iter-36000.3
2.5 kB
target.iter-37000.3
2.5 kB
target.iter-38000.3
2.5 kB
target.iter-39000.3
2.5 kB
target.iter-4000.3
2.5 kB
target.iter-40000.3
2.5 kB
target.iter-41000.3
2.5 kB
target.iter-42000.3
2.5 kB
target.iter-43000.3
2.5 kB
target.iter-44000.3
2.5 kB
target.iter-45000.3
2.5 kB
target.iter-46000.3
2.5 kB
target.iter-47000.3
2.5 kB
target.iter-48000.3
2.5 kB
target.iter-49000.3
2.5 kB
target.iter-5000.3
2.5 kB
target.iter-50000.3
2.5 kB
target.iter-51000.3
2.5 kB
target.iter-52000.3
2.5 kB
target.iter-53000.3
2.5 kB
target.iter-54000.3
2.5 kB
target.iter-55000.3
2.5 kB
target.iter-56000.3
2.5 kB
target.iter-57000.3
2.5 kB
target.iter-6000.3
2.5 kB
target.iter-7000.3
2.5 kB
target.iter-8000.3
2.5 kB
target.iter-9000.3
2.5 kB
2_ala2
ala2_ref
COLVAR
7.5 MB
HILLS
16.2 MB
ala2.tpr
12.2 kB
fes-50bins.dat
190.3 kB
fes-99bins.dat
745.2 kB
fes.dat
6.8 MB
plmd-ala2_ref.dat
624 Bytes
simulation
COLVAR.0
8.4 MB
ala2.tpr
12.2 kB
bias.iter-1000.0
2.6 kB
bias.iter-10000.0
2.6 kB
bias.iter-11000.0
2.6 kB
bias.iter-2000.0
2.6 kB
bias.iter-3000.0
2.6 kB
bias.iter-4000.0
2.6 kB
bias.iter-5000.0
2.6 kB
bias.iter-6000.0
2.6 kB
bias.iter-7000.0
2.6 kB
bias.iter-8000.0
2.6 kB
bias.iter-9000.0
2.6 kB
fes.iter-1000.0
2.5 kB
fes.iter-10000.0
2.5 kB
fes.iter-11000.0
2.5 kB
fes.iter-2000.0
2.5 kB
fes.iter-3000.0
2.5 kB
fes.iter-4000.0
2.5 kB
fes.iter-5000.0
2.5 kB
fes.iter-6000.0
2.5 kB
fes.iter-7000.0
2.5 kB
fes.iter-8000.0
2.5 kB
fes.iter-9000.0
2.5 kB
hist.iter-1000.0
2.6 kB
hist.iter-10000.0
2.6 kB
hist.iter-11000.0
2.6 kB
hist.iter-2000.0
2.6 kB
hist.iter-3000.0
2.6 kB
hist.iter-4000.0
2.6 kB
hist.iter-5000.0
2.6 kB
hist.iter-6000.0
2.6 kB
hist.iter-7000.0
2.6 kB
hist.iter-8000.0
2.6 kB
hist.iter-9000.0
2.6 kB
plmd-reweight.dat
342 Bytes
plumed.dat
483 Bytes
reweight-100000.0
7.7 kB
reweight-15000.0
7.7 kB
reweight-20000.0
7.7 kB
reweight-25000.0
7.7 kB
reweight-30000.0
7.7 kB
reweight-35000.0
7.7 kB
reweight-40000.0
7.7 kB
reweight-45000.0
7.7 kB
reweight-50000.0
7.7 kB
reweight-55000.0
7.7 kB
reweight-60000.0
7.7 kB
reweight-65000.0
7.7 kB
reweight-70000.0
7.7 kB
reweight-75000.0
7.7 kB
reweight-80000.0
7.7 kB
reweight-85000.0
7.7 kB
reweight-90000.0
7.7 kB
reweight-95000.0
7.7 kB
target.iter-1000.0
2.4 kB
target.iter-10000.0
2.4 kB
target.iter-11000.0
2.4 kB
target.iter-2000.0
2.4 kB
target.iter-3000.0
2.4 kB
target.iter-4000.0
2.4 kB
target.iter-5000.0
2.4 kB
target.iter-6000.0
2.4 kB
target.iter-7000.0
2.4 kB
target.iter-8000.0
2.4 kB
target.iter-9000.0
2.4 kB
3_ala4
ala4_ref
ala4.tpr
18.4 kB
plmd-ala4_ref.dat
553 Bytes
plmd-ala4rew.daty
1.6 kB
plmd.reweight-100000.0
1.0 kB
ref11.dat
5.0 MB
ref12.dat
5.0 MB
ref13.dat
5.0 MB
ref22.dat
5.0 MB
ref23.dat
5.0 MB
ref33.dat
5.0 MB
simulation
model_checkpoint.pt
32.2 kB
opt_checkpoint.pt
68.3 kB
plmd-rew.dat
1.6 kB
plumed.dat
863 Bytes
rew-fes11.dat
5.0 MB
rew-fes12.dat
5.0 MB
rew-fes13.dat
5.0 MB
rew-fes22.dat
5.0 MB
rew-fes23.dat
5.0 MB
rew-fes33.dat
5.0 MB
topol.tpr
14.6 kB
4_silicon
bias.iter-1000
23.9 kB
bias.iter-10000
23.8 kB
bias.iter-11000
23.8 kB
bias.iter-12000
23.8 kB
bias.iter-13000
23.8 kB
bias.iter-14000
23.8 kB
bias.iter-15000
23.8 kB
bias.iter-16000
23.8 kB
bias.iter-17000
23.8 kB
bias.iter-18000
23.8 kB
bias.iter-19000
23.8 kB
bias.iter-2000
23.8 kB
bias.iter-20000
23.8 kB
bias.iter-21000
23.8 kB
bias.iter-22000
23.8 kB
bias.iter-23000
23.8 kB
bias.iter-24000
23.8 kB
bias.iter-25000
23.8 kB
bias.iter-26000
23.8 kB
bias.iter-27000
23.8 kB
bias.iter-28000
23.8 kB
bias.iter-29000
23.8 kB
bias.iter-3000
23.8 kB
bias.iter-4000
23.9 kB
bias.iter-5000
23.9 kB
bias.iter-6000
23.8 kB
bias.iter-7000
23.8 kB
bias.iter-8000
23.9 kB
bias.iter-9000
23.8 kB
fes.iter-1000
23.3 kB
fes.iter-10000
23.3 kB
fes.iter-11000
23.3 kB
fes.iter-12000
23.3 kB
fes.iter-13000
23.3 kB
fes.iter-14000
23.3 kB
fes.iter-15000
23.3 kB
fes.iter-16000
23.3 kB
fes.iter-17000
23.3 kB
fes.iter-18000
23.3 kB
fes.iter-19000
23.3 kB
fes.iter-2000
23.3 kB
fes.iter-20000
23.3 kB
fes.iter-21000
23.3 kB
fes.iter-22000
23.3 kB
fes.iter-23000
23.3 kB
fes.iter-24000
23.3 kB
fes.iter-25000
23.3 kB
fes.iter-26000
23.3 kB
fes.iter-27000
23.3 kB
fes.iter-28000
23.3 kB
fes.iter-29000
23.3 kB
fes.iter-3000
23.3 kB
fes.iter-4000
23.3 kB
fes.iter-5000
23.3 kB
fes.iter-6000
23.3 kB
fes.iter-7000
23.3 kB
fes.iter-8000
23.3 kB
fes.iter-9000
23.3 kB
hist.iter-1000
23.6 kB
hist.iter-10000
23.6 kB
hist.iter-11000
23.6 kB
hist.iter-12000
23.6 kB
hist.iter-13000
23.6 kB
hist.iter-14000
23.6 kB
hist.iter-15000
23.6 kB
hist.iter-16000
23.6 kB
hist.iter-17000
23.6 kB