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octavioroncero committed Mar 8, 2021
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Madwave3: quantum wave packet program for triatomic systems
====
# Madwave3: quantum wave packet program for triatomic systems

It is a fortran77 code, parallelized with MPI and openMP,

It is a fortran code, parallelized with MPI and openMP,
for the quantum propagation of wave packets describing the dynamics of triatomic systems,
for treating state-to-state reactive and inelastic scattering::

Expand All @@ -26,23 +26,28 @@ also a bound state program, bndgrid.out, to calculate the initial vibrational
state for photodissociation. There are other auxiliary programs to
calculate the reactive/inelastic cross sections

Installation
============
## Installation

All source programs (in fortran) and examples are downloaded by cloning
the repository::

$ git clone https://github.com/octavioroncero/madwave3
```
git clone https://github.com/octavioroncero/madwave3
```

that will create the directory madwave3 with 4 sub-directories

```
BIN EXAMPLES PES SRC
```

For the instalation of the general purpose program::

```
$ cd BIN
$ source ./colmad3.sh
```

and it will create 10 executables

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