v.2.0.0

What's Changed

Now F-MD is used to model water molecules. It rely on SPC/Fw water model.

• New water model by @comecattin in #18

Full Changelog: v.1.2.1...v.2.0.0

v.1.2.1

What's Changed

• Better parser by @comecattin in #15

Full Changelog: v.1.2.0...v.1.2.1

v.1.2.0

What's Changed

In this release, the TIP3P water model has been implemented.

• Water model by @comecattin in #13

Full Changelog: v.1.1.0...v.1.2.0

v.1.1.0

What's Changed

• Export trajectories by @comecattin in #7
• Compute kinetic, potential and total energies by @comecattin in #12

Full Changelog: v.1.0.0...v.1.1.0

v.1.0.0

What's Changed

• Initialization by @comecattin in #1
• Forces computation by @comecattin in #2
• Integrate velocities and position by @comecattin in #3
• Output by @comecattin in #4
• Read input file and PBC conditions by @comecattin in #5

New Contributors

• @comecattin made their first contribution in #1

Full Changelog: https://github.com/comecattin/F-MD/commits/v.1.0.0