Name		Name	Last commit message	Last commit date
Latest commit History 4 Commits
CO2		CO2
FMTW		FMTW
PROCAR_isaac		PROCAR_isaac
SEARCH		SEARCH
cpmd		cpmd
development		development
dl_poly		dl_poly
finance		finance
gnuplot_scripts		gnuplot_scripts
grad_classes		grad_classes
liq_entropy		liq_entropy
number_theory		number_theory
plot3d		plot3d
pwscf		pwscf
scripts		scripts
unit_testing/chain_angles		unit_testing/chain_angles
vasp		vasp
wannier		wannier
.gitignore		.gitignore
3d_surface.py		3d_surface.py
BLA.py		BLA.py
BZ_paths.py		BZ_paths.py
CHG_hist.py		CHG_hist.py
DOSCAR_plottable.py		DOSCAR_plottable.py
ELF_hist.py		ELF_hist.py
EOS.py		EOS.py
FFT_check.py		FFT_check.py
FFT_test.py		FFT_test.py
FT_gaussian.py		FT_gaussian.py
F_ideal_CO2.f90		F_ideal_CO2.f90
F_ideal_MgO.f90		F_ideal_MgO.f90
F_ideal_MgSiO3.f90		F_ideal_MgSiO3.f90
F_ideal_N.f90		F_ideal_N.f90
F_ideal_SiO2.f90		F_ideal_SiO2.f90
HISTORY_select_snapshot.py		HISTORY_select_snapshot.py
MSD		MSD
PBC_extend_x.f90		PBC_extend_x.f90
POSCAR_angles.py		POSCAR_angles.py
PSD.py		PSD.py
RDF		RDF
RDF_extend.py		RDF_extend.py
RDF_general.f90		RDF_general.f90
README.md		README.md
SDF_line.py		SDF_line.py
SDF_pypng.py		SDF_pypng.py
TRAJECTORYn1_supercell.f90		TRAJECTORYn1_supercell.f90
UNITS		UNITS
VACF		VACF
VDOS.f90		VDOS.f90
VDOS_H.f90		VDOS_H.f90
ages.py		ages.py
aim3d.py		aim3d.py
angle_peaks.py		angle_peaks.py
angle_peaks_cutoff.py		angle_peaks_cutoff.py
anharmonic_entropy.py		anharmonic_entropy.py
ashley.py		ashley.py
av_coor_to_column.py		av_coor_to_column.py
avg_abs.py		avg_abs.py
avg_dos.py		avg_dos.py
avg_sig.py		avg_sig.py
band_structure_vasp.py		band_structure_vasp.py
birch_murnaghan.py		birch_murnaghan.py
birch_murnaghan_extend.py		birch_murnaghan_extend.py
birch_murnaghan_rs.py		birch_murnaghan_rs.py
blackbird_timestep.py		blackbird_timestep.py
bond_freq.py		bond_freq.py
calculate_R-3c_from_rs.py		calculate_R-3c_from_rs.py
calculate_box_from_rs.py		calculate_box_from_rs.py
calculate_general_orthorhomic_from_rs.py		calculate_general_orthorhomic_from_rs.py
calculate_orthorhombic_from_rs.py		calculate_orthorhombic_from_rs.py
calculate_rs_from_box.py		calculate_rs_from_box.py
calculate_rs_from_orthorhombic.py		calculate_rs_from_orthorhombic.py
calculate_rs_from_tetragonal.py		calculate_rs_from_tetragonal.py
calculate_rs_from_vol.py		calculate_rs_from_vol.py
calculate_tetragonal_from_rs.py		calculate_tetragonal_from_rs.py
cbn_from_xyz.f90		cbn_from_xyz.f90
cbn_from_xyz_general.f90		cbn_from_xyz_general.f90
chain_angles.py		chain_angles.py
chain_label.py		chain_label.py
chain_label_128.f90		chain_label_128.f90
chain_label_64.f90		chain_label_64.f90
chain_progress.py		chain_progress.py
charge_vs_coord.py		charge_vs_coord.py
charge_vs_coord_analyze.py		charge_vs_coord_analyze.py
check_XDATCAR.py		check_XDATCAR.py
clean_random.py		clean_random.py
com.f90		com.f90
compare_enthalpies.py		compare_enthalpies.py
compressibility.py		compressibility.py
conducti_process.py		conducti_process.py
conductivity_vs_molecule_fraction.py		conductivity_vs_molecule_fraction.py
contourf.py		contourf.py
convert_energy_to_temperature.py		convert_energy_to_temperature.py
convert_temperature_to_energy.py		convert_temperature_to_energy.py
coord_nn_angle_distribution.py		coord_nn_angle_distribution.py
coordination.f90		coordination.f90
coordination.pl		coordination.pl
coordination_two_types.f90		coordination_two_types.f90
correlators.py		correlators.py
correlators_bond.py		correlators_bond.py

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physics

Collection of codes and scripts resulting from my PhD in physics (2007-2013)

boates/physics

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