source: pcp/src/data.h

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Diff Rev Age Author Log Message
(edit) @e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
(edit) @79290f   17 years FrederikHeber config.h is included in each and every file. After trying to compile …
(edit) @08e223   17 years FrederikHeber ChangeWannierCentres can now be called from outside ComputeMLWF() …
(edit) @d6f7f3   17 years FrederikHeber CallOptions#ReadSrcFile is now enumerated ParseSrcDensities This is …
(edit) @88e890   17 years FrederikHeber RealBasisCenter[] is present and initialised. RealBasisCenter[] is …
(edit) @f5586e   17 years FrederikHeber RealBasisQ[] removed RealBasisQ[] is again replaced by …
(edit) @cc46b0   17 years FrederikHeber CreateDensityOutputGeneral(), CombineOutVisDensity(), OutVisIons(), …
(edit) @907086e   17 years FrederikHeber -ParallelSimulationData: comments upgraded -FileData: comments updated …
(edit) @7b1792   17 years FrederikHeber pointer TemperatureFile added to FileData structure for thermostats
(edit) @64ca279   17 years FrederikHeber CallOptions now has *ForcesFile to store name of a forces file to use …
(add) @a0bcf1   17 years FrederikHeber -initial commit -Minimum set of files needed from ESPACK SVN …
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