pytheos.plot package

Submodules

pytheos.plot.static_fit module

Todo’s

pytheos.plot.static_fit.static_fit_result(fit_result, v_residual=None, v_label=’Unit-cell volume $(\mathrm{\AA}^3)$’, figsize=(5, 5), height_ratios=(3, 1), ms_data=8, p_err=None, v_err=None, pdf_filen=None, title=’Fit result’)

plot static compressional curve fitting result

Parameters:

• fit_result – lmfit result object, see example jnb file for detail
• v_residual – manual input of fit residual
• v_label – label for volume axis
• figsize – figure size
• fitline – manual input of fit line, array of (v_fitline, p_fitline) with uncertainties
• height_ratios – height ratio between the main and residue plots
• ms_data – marker size for data points
• p_err – pressure error bar
• v_err – volume error bar
• pdf_filen – name of pdf output file
• title – title of the figure

Returns:

None

pytheos.plot.thermal_fit module

Todo’s

pytheos.plot.thermal_fit.thermal_data(data, figsize=(12, 4), ms_data=50, v_label=’Unit-cell volume $(\mathrm{\AA}^3)$’, pdf_filen=None, title=’P-V-T data’)

plot P-V-T data before fitting

Parameters:

• data – {‘p’: unumpy array, ‘v’: unumpy array, ‘temp’: unumpy array}
• eoscurves – {‘v’: unumpy array, ‘300’: unumpy array at the temperature ….}
• v_label – label for volume axis
• figsize – figure size
• ms_data – marker size for data points
• pdf_filen – name of pdf output file
• title – title of the figure

Returns:

None

pytheos.plot.thermal_fit.thermal_fit_result(fit_result, v_residual=None, v_label=’Unit-cell volume $(\mathrm{\AA}^3)$’, temp_fitline=array([ 300., 1000., 1500., 2000., 2500., 3000.]), figsize=(5, 5), height_ratios=(3, 1), ms_data=50, p_err=None, v_err=None, cbar_loc=(0.99, 0.1, 0.01, 0.82), pdf_filen=None, title=’Fit result’)

plot P-V-T EOS curve fitting result

Parameters:

• fit_result – lmfit result object, see example jnb file for detail
• v_label – label for volume axis
• temp_fitline – temperatures to calculate isothermal compression curves, default = [300., 1000., 1500., 2000., 2500., 3000.]
• figsize – figure size, default = (7,7)
• height_ratios – height ratio between the main and residue plots, default = (3,1)
• ms_data – marker size for data points
• p_err – pressure error bar
• v_err – volume error bar
• cbar_loc – location of color bar
• pdf_filen – name of pdf output file
• title – title of the figure

Returns:

None

Module contents

from .BM3 import * from .conversion import * from .debye import * from .kunc import * from .objs import * from .objs_for_fit import * from .pth import * from .pth_ConstQ import * from .pth_Dorogokupets2007 import * from .pth_Dorogokupets2015 import * from .pth_Speziale2001 import * from .pth_Tange import * from .pvt import * from .vinet import * from .hugoniot import *