calypso.config.read_dat module

@Author : Xiaoshan Luo <luoxs@calypso.cn> @Date : 2021/12/19 @Update : Xiaoshan Luo 2023/12/05 remove ase and old info about unittest

class calypso.config.read_dat.LogicLine

Bases: object

Parse logical value

class calypso.config.read_dat.SplitLine(listtype)

Bases: object

Split value which has multi-element into list. e.g. NameOfAtoms = B N # comment listtype <- str

calypso.config.read_dat.SplitBlock(key, block, parms)

Split block which is matrix-like

calypso.config.read_dat.map_v7tov8(parms)

calypso.config.read_dat.multiline(line)

Parse multiline parameter, ignore comment and get key. e.g. @DistanceOfIon # comment

calypso.config.read_dat.read_inputdat(input='input.dat')

calypso.config.read_dat.singleline(line)

Parse single line parameter, ignore comment and split by ‘=’. e.g. PopSize = 30 # comment