@mainpage seplib

seplib is a flexible lightweight stand alone and easy hackable
molecular dynamics software package written in standard C99. seplib
consists of (i) the seplib kernel library, (ii) auxillary tools for
simulation setup and post run data analysis, and (iii) a suite of
test/example programs.

---REQUIREMENTS--- 

An iso-C99 compiler. Openmp compiler support required for parallization.

For easy installation: make-utils. 

---INSTALLATION---

1) Download the sep.tar.gz
2) Unpack compressed file using 'tar -zxvf sep.tar.gz'. A new directory
   seplib will be created.	
3) Change directory to seplib
4) Type: './configure'
5) Type: 'make'
6) Optional: type 'make test'
7) Optional: Check build - go to 'test' dir and type './run_test.sh'
8) Optional: make install 

NOTE: 

The default installation is in /usr/local/ If you do not have 
root privileges you can change the installation path by fx:

./configure --prefix=/home/username/sep/


---EXAMPLES AND HELP---


1) prg0.c: Simple small Lennard-Jones system. NVE simulation.

2) prg1.c: Simple, but larger, Lennard-Jones system. Sampler tjek. NVT simulation.

3) prg2.c: Butane molecular system: Tests bond, angle and dihedral potentials. 

4) prg3.c: Water with shifted-force Coloumb interaction scheme. Tests compression.

5) prg4.c: OpenMP for Lennard-Jones (optimization model I)

6) prg5.c: OpenMP for butane (optimization model II)

7) prg6.c: DPD simulation.

8) prg7.c: Lennard-Jones NPT simulation

9) prg8.c: Slit-pore simulation: Tests virtual lattice sites and prof sampler


Please see the API documentation in doc/dox/index.html using your favorite 
browser.

 
---LICENSE---

Check out the LICENSE file.   


---TODO---

A lot...