Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / cryos/openqube issues and pull requests

#8 - Skip higher-order momenta. Added support for g, h, i shells.

Pull Request - State: closed - Opened by ghutchis about 13 years ago

#7 - Overload Cube::setLimits to take a Molecule object, spacing, and padding.

Pull Request - State: closed - Opened by alliepiper over 13 years ago

#6 - No public qt

Pull Request - State: closed - Opened by alliepiper over 13 years ago

#5 - Print error and bail if the density matrix is not set.

Pull Request - State: closed - Opened by alliepiper over 13 years ago

#4 - Fix some compiler warnings.

Pull Request - State: closed - Opened by alliepiper over 13 years ago

#3 - Add blocking alternatives to the basisset calculation methods.

Pull Request - State: closed - Opened by alliepiper over 13 years ago

#2 - Added a clone method to BasisSet and subclasses.

Pull Request - State: closed - Opened by alliepiper over 13 years ago - 3 comments

#1 - Modify MOPAC .aux reader to construct an OpenQube::Molecule object.

Pull Request - State: closed - Opened by alliepiper over 13 years ago