Al.zip
Al
01_References
Bcc-Fcc
BainTransformation
Analysis.ipynb
375.3 kB
Example
1500K-30GPa
Al99.eam.alloy
780.5 kB
COLVAR.0
11.4 MB
COLVAR.1
11.4 MB
COLVAR.2
11.4 MB
COLVAR.3
11.4 MB
Reweight
COLVARtrim
36.4 MB
bias.b1.iter-1000.data
14.0 kB
bias.b1.iter-10000.data
14.0 kB
bias.b1.iter-2000.data
14.0 kB
bias.b1.iter-3000.data
14.0 kB
bias.b1.iter-4000.data
14.0 kB
bias.b1.iter-5000.data
14.0 kB
bias.b1.iter-6000.data
14.0 kB
bias.b1.iter-7000.data
14.0 kB
bias.b1.iter-8000.data
14.0 kB
bias.b1.iter-9000.data
14.0 kB
coeffs.data
190.0 kB
data.initial
39.9 kB
fes.b1.iter-1000.data
9.5 kB
fes.b1.iter-10000.data
9.5 kB
fes.b1.iter-2000.data
9.5 kB
fes.b1.iter-3000.data
9.5 kB
fes.b1.iter-4000.data
9.5 kB
fes.b1.iter-5000.data
9.5 kB
fes.b1.iter-6000.data
9.5 kB
fes.b1.iter-7000.data
9.5 kB
fes.b1.iter-8000.data
9.5 kB
fes.b1.iter-9000.data
9.5 kB
in.al
91 Bytes
in.box
281 Bytes
in.dump
192 Bytes
in.partitions
30 Bytes
in.pressure
64 Bytes
in.seed
43 Bytes
in.setup
301 Bytes
in.temp
78 Bytes
log.lammps.0.1
624.5 kB
log.lammps.0.2
2.5 MB
plumed.dat
1.0 kB
plumed.out.0
7.8 kB
plumed.start.dat
1.1 kB
targetdist.b1.iter-0.data
9.5 kB
targetdist.b1.iter-1000.data
9.5 kB
targetdist.b1.iter-10000.data
9.5 kB
targetdist.b1.iter-2000.data
9.5 kB
targetdist.b1.iter-3000.data
9.5 kB
targetdist.b1.iter-4000.data
9.5 kB
targetdist.b1.iter-5000.data
9.5 kB
targetdist.b1.iter-6000.data
9.5 kB
targetdist.b1.iter-7000.data
9.5 kB
targetdist.b1.iter-8000.data
9.5 kB
targetdist.b1.iter-9000.data
9.5 kB
results.txt
366 Bytes
Liquid-Solid
Bcc
2000K-30GPa
Al99.eam.alloy
780.5 kB
COLVAR.0
5.1 MB
RefCV.cpp
11.2 kB
bias.b1.iter-10000.0.data
14.0 kB
bias.b1.iter-15000.0.data
14.0 kB
bias.b1.iter-20000.0.data
14.0 kB
bias.b1.iter-25000.0.data
14.0 kB
bias.b1.iter-30000.0.data
14.0 kB
bias.b1.iter-35000.0.data
14.0 kB
bias.b1.iter-40000.0.data
14.0 kB
bias.b1.iter-44500.0.data
14.0 kB
bias.b1.iter-5000.0.data
14.0 kB
coeffs.0.data
851.5 kB
data.equil.0
39.3 kB
fes.b1.iter-10000.0.data
9.5 kB
fes.b1.iter-15000.0.data
9.5 kB
fes.b1.iter-20000.0.data
9.5 kB
fes.b1.iter-25000.0.data
9.5 kB
fes.b1.iter-30000.0.data
9.5 kB
fes.b1.iter-35000.0.data
9.5 kB
fes.b1.iter-40000.0.data
9.5 kB
fes.b1.iter-44500.0.data
9.5 kB
in.al
91 Bytes
in.box
87 Bytes
in.dump
192 Bytes
in.partitions
24 Bytes
in.pressure
64 Bytes
in.seed
26 Bytes
in.setup
301 Bytes
in.temp
78 Bytes
log.lammps.0.1
2.8 MB
plumed.dat
948 Bytes
plumed.start.dat
1.1 kB
restart.lmp
570 Bytes
start.lmp
553 Bytes
targetdist.b1.iter-10000.0.data
9.5 kB
targetdist.b1.iter-15000.0.data
9.5 kB
targetdist.b1.iter-20000.0.data
9.5 kB
targetdist.b1.iter-25000.0.data
9.5 kB
targetdist.b1.iter-30000.0.data
9.5 kB
targetdist.b1.iter-35000.0.data
9.5 kB
targetdist.b1.iter-40000.0.data
9.5 kB
targetdist.b1.iter-44500.0.data
9.5 kB
results.txt
1.4 kB
Fcc
2000K-30GPa
Al99.eam.alloy
780.5 kB
COLVAR.0
5.7 MB
RefCV.cpp
11.2 kB
bias.b1.iter-1000.0.data
14.0 kB
bias.b1.iter-10000.0.data
14.0 kB
bias.b1.iter-1500.0.data
14.0 kB
bias.b1.iter-2000.0.data
14.0 kB
bias.b1.iter-2500.0.data
14.0 kB
bias.b1.iter-3000.0.data
14.0 kB
bias.b1.iter-3500.0.data
14.0 kB
bias.b1.iter-4000.0.data
14.0 kB
bias.b1.iter-4500.0.data
14.0 kB
bias.b1.iter-500.0.data
14.0 kB
bias.b1.iter-5000.0.data
14.0 kB
bias.b1.iter-5500.0.data
14.0 kB
bias.b1.iter-6000.0.data
14.0 kB
bias.b1.iter-6500.0.data
14.0 kB
bias.b1.iter-7000.0.data
14.0 kB
bias.b1.iter-7500.0.data
14.0 kB
bias.b1.iter-8000.0.data
14.0 kB
bias.b1.iter-8500.0.data
14.0 kB
bias.b1.iter-9000.0.data
14.0 kB
bias.b1.iter-9500.0.data
14.0 kB
coeffs.0.data
191.4 kB
data.equil.0
40.3 kB
fes.b1.iter-0.0.data
9.5 kB
fes.b1.iter-1000.0.data
9.5 kB
fes.b1.iter-10000.0.data
9.5 kB
fes.b1.iter-1500.0.data
9.5 kB
fes.b1.iter-2000.0.data
9.5 kB
fes.b1.iter-2500.0.data
9.5 kB
fes.b1.iter-3000.0.data
9.5 kB
fes.b1.iter-3500.0.data
9.5 kB
fes.b1.iter-4000.0.data
9.5 kB
fes.b1.iter-4500.0.data
9.5 kB
fes.b1.iter-500.0.data
9.5 kB
fes.b1.iter-5000.0.data
9.5 kB
fes.b1.iter-5500.0.data
9.5 kB
fes.b1.iter-6000.0.data
9.5 kB
fes.b1.iter-6500.0.data
9.5 kB
fes.b1.iter-7000.0.data
9.5 kB
fes.b1.iter-7500.0.data
9.5 kB
fes.b1.iter-8000.0.data
9.5 kB
fes.b1.iter-8500.0.data
9.5 kB
fes.b1.iter-9000.0.data
9.5 kB
fes.b1.iter-9500.0.data
9.5 kB
in.al
91 Bytes
in.box
87 Bytes
in.dump
192 Bytes
in.partitions
24 Bytes
in.pressure
64 Bytes
in.seed
26 Bytes
in.setup
301 Bytes
in.temp
78 Bytes
log.lammps.0.1
624.3 kB
log.lammps.0.2
2.5 MB
plumed.dat
962 Bytes
plumed.start.dat
1.1 kB
restart.lmp
569 Bytes
start.lmp
551 Bytes
targetdist.b1.iter-0.0.data
9.5 kB
targetdist.b1.iter-1000.0.data
9.5 kB
targetdist.b1.iter-10000.0.data
9.5 kB
targetdist.b1.iter-1500.0.data
9.5 kB
targetdist.b1.iter-2000.0.data
9.5 kB
targetdist.b1.iter-2500.0.data
9.5 kB
targetdist.b1.iter-3000.0.data
9.5 kB
targetdist.b1.iter-3500.0.data
9.5 kB
targetdist.b1.iter-4000.0.data
9.5 kB
targetdist.b1.iter-4500.0.data
9.5 kB
targetdist.b1.iter-500.0.data
9.5 kB
targetdist.b1.iter-5000.0.data
9.5 kB
targetdist.b1.iter-5500.0.data
9.5 kB
targetdist.b1.iter-6000.0.data
9.5 kB
targetdist.b1.iter-6500.0.data
9.5 kB
targetdist.b1.iter-7000.0.data
9.5 kB
targetdist.b1.iter-7500.0.data
9.5 kB
targetdist.b1.iter-8000.0.data
9.5 kB
targetdist.b1.iter-8500.0.data
9.5 kB
targetdist.b1.iter-9000.0.data
9.5 kB
targetdist.b1.iter-9500.0.data
9.5 kB
results.txt
1.5 kB
02_FCC
Al99.eam.alloy
780.5 kB
COLVAR.0
7.3 MB
COLVAR.1
7.3 MB
COLVAR.2
7.3 MB
COLVAR.3
7.3 MB
COLVAR.4
7.3 MB
COLVAR.5
7.3 MB
RefCV.cpp
11.2 kB
Reweight
COLVARtrim
21.9 MB
bias.b1.iter-10000.data
7.5 MB
bias.b1.iter-20000.data
7.5 MB
bias.b1.iter-30000.data
7.5 MB
coeffs.data
20.9 MB
data.equil.0
40.3 kB
data.equil.1
40.3 kB
data.equil.2
40.3 kB
data.equil.3
40.0 kB
data.equil.4
40.0 kB
data.equil.5
40.0 kB
fes.b1.iter-10000.data
4.3 MB
fes.b1.iter-20000.data
4.3 MB
fes.b1.iter-30000.data
4.3 MB
in.al
91 Bytes
in.box
87 Bytes
in.dump
192 Bytes
in.partitions
34 Bytes
in.pressure
64 Bytes
in.seed
59 Bytes
in.setup
301 Bytes
in.temp
77 Bytes
job.sh
2.8 kB
log.lammps.0.1
1.9 MB
log.lammps.0.2
1.9 MB
log.lammps.1.1
1.9 MB
log.lammps.1.2
1.9 MB
log.lammps.2.1
1.9 MB
log.lammps.2.2
1.9 MB
log.lammps.3.1
1.9 MB
log.lammps.3.2
1.9 MB
log.lammps.4.1
1.9 MB
log.lammps.4.2
1.9 MB
log.lammps.5.1
1.9 MB
log.lammps.5.2
1.9 MB
plumed.dat
1.3 kB
plumed.out.0
9.3 kB
plumed.start.dat
1.4 kB
start.lmp
552 Bytes
targetdist.b1.iter-10000.data
4.3 MB
targetdist.b1.iter-20000.data
4.3 MB
targetdist.b1.iter-30000.data
4.3 MB
03_BCC
Al99.eam.alloy
780.5 kB
COLVAR.0
7.3 MB
COLVAR.1
7.3 MB
COLVAR.2
7.3 MB
COLVAR.3
7.3 MB
COLVAR.4
7.3 MB
COLVAR.5
7.3 MB
RefCV.cpp
11.2 kB
Reweight
COLVARtrim
21.9 MB
bias.b1.iter-10000.data
7.5 MB
bias.b1.iter-20000.data
7.5 MB
bias.b1.iter-30000.data
7.5 MB
coeffs.data
20.9 MB
data.equil.0
39.3 kB
data.equil.1
39.3 kB
data.equil.2
39.3 kB
data.equil.3
39.0 kB
data.equil.4
39.0 kB
data.equil.5
39.0 kB
fes.b1.iter-10000.data
4.3 MB
fes.b1.iter-20000.data
4.3 MB
fes.b1.iter-30000.data
4.3 MB
in.al
91 Bytes
in.box
87 Bytes
in.dump
192 Bytes
in.partitions
34 Bytes
in.pressure
64 Bytes
in.seed
59 Bytes
in.setup
301 Bytes
in.temp
77 Bytes
log.lammps.0.1
1.9 MB
log.lammps.0.2
1.9 MB
log.lammps.1.1
1.9 MB
log.lammps.1.2
1.9 MB
log.lammps.2.1
1.9 MB
log.lammps.2.2
1.9 MB
log.lammps.3.1
1.9 MB
log.lammps.3.2
1.9 MB
log.lammps.4.1
1.9 MB
log.lammps.4.2
1.9 MB
log.lammps.5.1
1.9 MB
log.lammps.5.2
1.9 MB
plumed.dat
1.3 kB
plumed.out.0
9.3 kB
plumed.start.dat
1.4 kB
restart.lmp
569 Bytes
start.lmp
552 Bytes
targetdist.b1.iter-10000.data
4.3 MB
targetdist.b1.iter-20000.data
4.3 MB
targetdist.b1.iter-30000.data
4.3 MB
Analysis.ipynb
1.7 MB