-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathcodes.html
87 lines (81 loc) · 4.05 KB
/
codes.html
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
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
<!DOCTYPE html>
<html lang="en">
<head>
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>Akilan</title>
<link rel="stylesheet" href="style.css">
<link rel="preconnect" href="https://fonts.gstatic.com" crossorigin>
<link href="https://fonts.googleapis.com/css2?family=Open+Sans:ital,wght@0,300..800;1,300..800&family=Source+Sans+3:ital,wght@0,200..900;1,200..900&display=swap" rel="stylesheet">
<link rel="stylesheet" href="https://stackpath.bootstrapcdn.com/font-awesome/4.7.0/css/font-awesome.min.css">
</head>
<body>
<section class="header">
<nav>
<a href="index.html"><img src="logo.jpg" alt="Logo"></a>
<div class="nav-links" id="navLinks">
<i class="fa fa-times" onclick="hidemenu()"></i>
<ul>
<li><a href="index.html">Log Book</a></li>
<li><a href="curriculum.html">Curriculum</a></li>
<li><a href="publications.html">Publications</a></li>
<li><a href="codes.html">Codes</a></li>
</ul>
</div>
<i class="fa fa-bars" onclick="showmenu()"></i>
</nav>
</section>
<section>
<div class="Q-DFT">
<h1><a href="https://github.com/bsenjean/QDFT">Q-DFT - V 0.1.0</a></h1>
<p>
Quantum Density Functional Theory: a quantum algorithm to solve the Kohn-Sham self-consistent equations.
</p>
</div>
<div class="G2XYZ">
<h1><a href="https://github.com/Akilan-QC/Gaussian-to-XYZ">Gaussian to XYZ</a></h1>
<p>
This is a simple Python script to extract optimized geometry from Gaussian output files and store them as XYZ files. It can be coupled with a simple bash script for use in HPC environments.
</p>
</div>
<div class="DA">
<h1><a href="https://github.com/Akilan-QC/pseudo-dihedral-angle">Calculating Pseudo Dihedral Angle</a></h1>
<p>
A Python script to calculate the proper dihedral or pseudo dihedral angle from a PDB file. This code is developed to calculate the pseudo dihedral angle from a base-flip DNA during MD simulations.
</p>
</div>
<div class="PGUI">
<h1><a href="https://doi.org/10.5281/zenodo.7078326">GUI for Polyrate</a></h1>
<p>
A Python-powered graphical user interface for generating Polyrate input files from Gaussian output. This GUI is designed for beginners to easily create Polyrate input files.<br>
<a href="https://doi.org/10.5281/zenodo.7078326"><img src="https://zenodo.org/badge/DOI/10.5281/zenodo.7078326.svg" alt="DOI Badge"></a>
</p>
</div>
</section>
<section class="CVT">
<a href="my_page.html"><img src="akil.jpg" alt="Akilan Rajamani"></a>
<h1>Akilan RAJAMANI</h1>
<p><em>Density functional theory</em></p>
<p><em>Molecular dynamics</em></p>
<p><em>Quantum chemistry in quantum computing</em></p>
<div class="CVT-links">
<p>
<a href="https://scholar.google.co.in/citations?user=x7Rqqs0AAAAJ&hl=en"><img src="GS_icon.jpg" alt="Google Scholar"></a>
<a href="https://in.linkedin.com/in/akilan-rajamani-949b39150"><img src="link.jpg" alt="LinkedIn"></a>
<a href="https://www.researchgate.net/profile/Rajamani-Akilan"><img src="rg.png" alt="ResearchGate"></a>
<a href="https://twitter.com/akil_rajamani?lang=en"><img src="twitter.jpg" alt="Twitter"></a>
</p>
</div>
</section>
<script>
var navLinks = document.getElementById("navLinks");
function showmenu() {
navLinks.style.right = "0";
navLinks.style.opacity = "1.0";
}
function hidemenu() {
navLinks.style.opacity = "0.0";
navLinks.style.right = "-200px";
}
</script>
</body>
</html>