forked from f-allum/PyCESim
-
Notifications
You must be signed in to change notification settings - Fork 0
Expand file tree
/
Copy pathPyCESim.html
More file actions
45 lines (42 loc) · 2.76 KB
/
Copy pathPyCESim.html
File metadata and controls
45 lines (42 loc) · 2.76 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<html><head><title>Python: package PyCESim</title>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head><body bgcolor="#f0f0f8">
<table width="100%" cellspacing=0 cellpadding=2 border=0 summary="heading">
<tr bgcolor="#7799ee">
<td valign=bottom> <br>
<font color="#ffffff" face="helvetica, arial"> <br><big><big><strong>PyCESim</strong></big></big></font></td
><td align=right valign=bottom
><font color="#ffffff" face="helvetica, arial"><a href=".">index</a><br><a href="file:/Users/fallum/Documents/GitHub/PyCESim/PyCESim/__init__.py">/Users/fallum/Documents/GitHub/PyCESim/PyCESim/__init__.py</a></font></td></tr></table>
<p></p>
<p>
<table width="100%" cellspacing=0 cellpadding=2 border=0 summary="section">
<tr bgcolor="#aa55cc">
<td colspan=3 valign=bottom> <br>
<font color="#ffffff" face="helvetica, arial"><big><strong>Package Contents</strong></big></font></td></tr>
<tr><td bgcolor="#aa55cc"><tt> </tt></td><td> </td>
<td width="100%"><table width="100%" summary="list"><tr><td width="25%" valign=top><a href="PyCESim.PyCESim.html">PyCESim</a><br>
</td><td width="25%" valign=top></td><td width="25%" valign=top></td><td width="25%" valign=top></td></tr></table></td></tr></table><p>
<table width="100%" cellspacing=0 cellpadding=2 border=0 summary="section">
<tr bgcolor="#55aa55">
<td colspan=3 valign=bottom> <br>
<font color="#ffffff" face="helvetica, arial"><big><strong>Data</strong></big></font></td></tr>
<tr><td bgcolor="#55aa55"><tt> </tt></td><td> </td>
<td width="100%"><strong>atomcolor_dict</strong> = {'C': 'grey', 'F': 'yellow', 'H': 'snow', 'I': 'magenta', 'N': 'blue', 'O': 'red'}<br>
<strong>atomno_dict</strong> = {1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C', 7: 'N', 8: 'O', 9: 'F'}<br>
<strong>bohr_radius</strong> = 5.29177210903e-11<br>
<strong>bohr_to_angstrom</strong> = 0.529177211<br>
<strong>c_cm_s</strong> = 29970000000.0<br>
<strong>cm_to_J</strong> = 1.986e-23<br>
<strong>cm_to_hartree</strong> = 4.55633590401805e-06<br>
<strong>e</strong> = 1.60217663e-19<br>
<strong>hartree_to_eV</strong> = 27.211396132<br>
<strong>hbar</strong> = 1.054571817e-34<br>
<strong>k</strong> = 8987551792.3<br>
<strong>kb</strong> = 1.380649e-23<br>
<strong>mass_dict</strong> = {'Ag': 106.905093, 'Al': 26.981538, 'Ar': 39.962383, 'As': 74.921596, 'B': 11.009305, 'Be': 9.012182, 'Br': 78.918338, 'C': 12.0, 'Ca': 39.962591, 'Cd': 113.903358, ...}<br>
<strong>p_au_KE_eV_fac</strong> = 0.014927621120206163<br>
<strong>p_au_fac</strong> = 1.992851912878967e-24<br>
<strong>u</strong> = 1.660538921e-27<br>
<strong>u_to_amu</strong> = 1822.8884849958256</td></tr></table>
</body></html>