ECCE good first issues (C)

Provide a tutorial for 1) installation 2) modifying queues and 3) getting started with simple calcs 18 days ago

help wanted

9

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL

C

#calculations#chemistry#computational#dft#ecce#linux#nwchem#pnnl#visualisation

Native macOS client (9.x) 20 days ago

help wanted

FriendsofECCE/ECCE

9

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL

C

#calculations#chemistry#computational#dft#ecce#linux#nwchem#pnnl#visualisation

gaussian-03.desc needs to be checked about 1 month ago

help wanted

FriendsofECCE/ECCE

9

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL

C

#calculations#chemistry#computational#dft#ecce#linux#nwchem#pnnl#visualisation

Migrate 3rd Party Libraries to Platform Provided Versions about 2 months ago

enhancement help wanted

FriendsofECCE/ECCE

9

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL

C

#calculations#chemistry#computational#dft#ecce#linux#nwchem#pnnl#visualisation

ECCE depends on bundled packages about 2 months ago

help wanted

FriendsofECCE/ECCE

9

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL

C

#calculations#chemistry#computational#dft#ecce#linux#nwchem#pnnl#visualisation

FriendsofECCE/ECCE

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