Ecosyste.ms: Issues

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GitHub / siesta-project/flos issues and pull requests

#16 - run lua on single cpu

Issue - State: closed - Opened by mgoonde over 1 year ago - 1 comment

#15 - Add new example with configurable NEB script

Pull Request - State: closed - Opened by albgar almost 2 years ago - 1 comment

#14 - Update middleclass submodule

Pull Request - State: closed - Opened by albgar almost 2 years ago - 1 comment

#13 - Allow chemical symbols in xyz files in the NEB driver

Pull Request - State: closed - Opened by albgar over 3 years ago

#12 - Implement a mechanism for setting script variables

Pull Request - State: closed - Opened by albgar over 3 years ago - 5 comments

#11 - Dynamic Relaxation for siesta/flos NEB calculation

Issue - State: open - Opened by rezabma almost 4 years ago - 3 comments

#10 - Question: Can flos be used to manage the transiesta scf cycle?

Issue - State: closed - Opened by pfebrer almost 4 years ago - 10 comments

#9 - Merging

Pull Request - State: open - Opened by arsalan-akhtar about 4 years ago - 1 comment

#8 - interpolation error

Issue - State: open - Opened by rezabma over 5 years ago

#7 - empty middleclass

Issue - State: closed - Opened by rezabma over 5 years ago - 1 comment

#6 - Idea proposed #2

Issue - State: open - Opened by rezabma over 5 years ago - 5 comments

#5 - Idea proposed #1

Issue - State: open - Opened by rezabma over 5 years ago - 7 comments
Labels: enhancement

#4 - Instruction for SIESTA arch.make incoplete

Issue - State: closed - Opened by fedmar about 7 years ago

#3 - Wrote rockspec for flos 0.1

Pull Request - State: closed - Opened by pouillon over 7 years ago - 3 comments

#2 - Enable a SIESTA function for each of the classes

Issue - State: closed - Opened by zerothi over 7 years ago

#1 - New array data-type

Pull Request - State: closed - Opened by zerothi almost 8 years ago