Na.zip
Na
01_Distributions
Distributions.ipynb
41.7 kB
Liquid
Na_MendelevM_2014.eam.fs
762.3 kB
histo
29.0 kB
in.box
186 Bytes
in.dump
176 Bytes
in.na
63 Bytes
in.pressure
59 Bytes
in.seed
26 Bytes
in.setup
285 Bytes
in.temp
109 Bytes
log.lammps
34.3 kB
plumed.dat
419 Bytes
plumed.out
3.6 kB
run.sh
625 Bytes
start.lmp
850 Bytes
README.md
291 Bytes
Solid
Na_MendelevM_2014.eam.fs
762.3 kB
histo
28.9 kB
in.box
186 Bytes
in.dump
176 Bytes
in.na
63 Bytes
in.pressure
59 Bytes
in.seed
26 Bytes
in.setup
285 Bytes
in.temp
76 Bytes
log.lammps
26.1 kB
plumed.dat
419 Bytes
plumed.out
3.6 kB
run.sh
625 Bytes
start.lmp
848 Bytes
distributions.png
30.5 kB
02_References
Example
COLVAR
6.2 MB
Na_MendelevM_2014.eam.fs
762.3 kB
RefCV.cpp
11.2 kB
Reweight
COLVARtrim
5.1 MB
analysis.0.fes
31.6 kB
analysis.1.fes
31.6 kB
analysis.2.fes
31.6 kB
analysis.3.fes
31.6 kB
analysis.4.fes
31.5 kB
analysis.5.fes
31.6 kB
analysis.6.fes
31.6 kB
analysis.7.fes
31.6 kB
analysis.8.fes
31.6 kB
join.py
610 Bytes
plumed.dat
525 Bytes
results.txt
74 Bytes
bias.b1.iter-10000.data
14.0 kB
bias.b1.iter-20000.data
14.0 kB
bias.b1.iter-30000.data
14.0 kB
bias.b1.iter-40000.data
14.0 kB
bias.b1.iter-50000.data
14.0 kB
bias.b1.iter-55000.data
14.0 kB
coeffs.data
609.7 kB
data.equil
24.2 kB
data.final
39.4 kB
fes.b1.iter-10000.data
9.5 kB
fes.b1.iter-20000.data
9.5 kB
fes.b1.iter-30000.data
9.5 kB
fes.b1.iter-40000.data
9.5 kB
fes.b1.iter-50000.data
9.5 kB
fes.b1.iter-55000.data
9.5 kB
in.box
78 Bytes
in.dump
176 Bytes
in.na
63 Bytes
in.pressure
59 Bytes
in.seed
26 Bytes
in.setup
285 Bytes
in.temp
76 Bytes
log.lammps
3.4 MB
plumed.dat
974 Bytes
plumed.start.dat
1.1 kB
targetdist.b1.iter-10000.data
9.5 kB
targetdist.b1.iter-20000.data
9.5 kB
targetdist.b1.iter-30000.data
9.5 kB
targetdist.b1.iter-40000.data
9.5 kB
targetdist.b1.iter-50000.data
9.5 kB
targetdist.b1.iter-55000.data
9.5 kB
Pressure10000bar
results.txt
259 Bytes
Pressure1bar
results.txt
261 Bytes
README.md
383 Bytes
03_MultithermalMultibaric
COLVAR.0
4.1 MB
COLVAR.1
4.1 MB
COLVAR.2
4.1 MB
COLVAR.3
4.1 MB
Na_MendelevM_2014.eam.fs
762.3 kB
RefCV.cpp
11.2 kB
Reweight
COLVARtrim
11.8 MB
plumed.dat
65.7 kB
script.py
1.8 kB
bias.b1.iter-35000.data
7.4 MB
coeffs.data
24.4 MB
fes.b1.iter-35000.data
4.3 MB
freeEnergiesBcc.npy
269.0 kB
in.box
78 Bytes
in.dump
192 Bytes
in.na
63 Bytes
in.partitions
30 Bytes
in.pressure
62 Bytes
in.seed
45 Bytes
in.setup
301 Bytes
in.temp
76 Bytes
orderParameterBcc.npy
207.4 kB
plumed.dat
1.3 kB
plumed.start.dat
1.4 kB
restart.lmp
564 Bytes
start.lmp
553 Bytes
targetdist.b1.iter-35000.data
4.3 MB
Analysis.ipynb
1.3 MB