Usage
FFX Commons Repository
Specify Force Field X Commons in the list of repositories in your pom.xml
<repositories> <repository> <name>Force Field X Commons</name> <id>ffx.commons</id> <url>https://kenai.com/projects/ffx/sources/ffx-commons/show/content</url> </repository> </repositories>
Numerics Dependency
Specify Numerics in the list of Dependencies in your pom.xml
<dependencies> <dependency> <groupId>edu.uiowa.eng.ffx</groupId> <artifactId>numerics</artifactId> <version>${project.version}</version> <type>jar</type> </dependency> </dependencies>
Erf Example
Shown below is an example of using the ffx.numerics Erf class.
import static ffx.numerics.special.Erf.erf; ... double x = 2.0; double erfx = erf(x);
FFT Example
Shown below is an example of using the ffx.numerics.fft package Complex class.
import java.util.Random; import ffx.numerics.fft.Complex; ... int n = 256; double data[] = new double[n * 2]; Random r = new Random(); for (int i = 0; i < n; i++) { double d = r.nextDouble(); data[i * 2] = d; } int offset = 0; int stride = 2; Complex complex = new Complex(n); complex.fft(data, offset, stride); complex.inverse(data, offset, stride);