[fix] fix #5 (#6)

rename castep_elnes_parser.py to ceparser.py update README.md and castep_elnes_parser.rst
nmdl-mizo · Apr 26, 2022 · 5139ed8 · 5139ed8
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diff --git a/README.md b/README.md
@@ -41,7 +41,7 @@ The label of the site of interest can be specified by `element` and `suffix`.
 ``` python
 >>> !ls . # prepare two {seed_name}.castep files for ground state and excitated state
 case_gs.castep    case.castep
->>> import castep_elnes_parser as cep
+>>> import ceparser as cep
 >>> # extract energies and calculate excitation energy for a site labelled as "C:ex"
 >>> energies = cep.get_energies(filename_gs="./case_gs.castep", filename_ex="./case.castep", element="C", suffix=":ex")
 ```
@@ -55,7 +55,7 @@ This script can form spectra from a pair of {seed_name}.bands and {seed_name}.ee
 case_elnes.bands    case_elnes.eels_mat
 >>> import numpy as np
 >>> import matplotlib.pyplot as plt
->>> import castep_elnes_parser as cep
+>>> import ceparser as cep
 >>> # calculate gaussian smeared spectra of Gaussian sigma 0.3 eV
 >>> energies = np.arange(-4.999, 30.002, 0.001) # make an array for energies with a desired range and resolution
 >>> sp = cep.get_smeared_spectrum(energies=energies, sigma=0.3, calc_dir=".", seed_name="case_elnes") # parse and make spectra by gaussian smearing with sigma

diff --git a/castep_elnes_parser.py → ceparser.py b/castep_elnes_parser.py → ceparser.py
diff --git a/docs/castep_elnes_parser.rst b/docs/castep_elnes_parser.rst
@@ -1,7 +1,7 @@
 castep\_elnes\_parser module
 ============================
 
-.. automodule:: castep_elnes_parser
+.. automodule:: ceparser
    :members:
    :undoc-members:
    :show-inheritance: