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He Ma authored
1.1. Multiple options added to response command. Now the way to call response command is: response -vext vext_file [-RPA or -IPA] [-amplitude amplitude] [-parallel_write] nitscf [nite] a) -RPA option will freeze the update of Vxc (only work for semilocal functional now); IPA will freeze the update of Vxc and Vhartree (not implemented yet since it will involve major change of EnergyFunctional class). In order to implment RPA, some changes are made to EnergyFunctional class and XCPotential class. Additionally, two boolean flags are added in Control class to indicate whether Vxc or Vhartree is freezed. b) -amplitude option can set the amplitude of Vext. Right now it seems that this option is very convenient since it facilitates the test on whether the magnetitude for Vext is in linear-response regime. So I suggest keeping this option. c) -parallel_write: not implemented yet. By this option I intend to realize parallel I/O, like in SampleReader or SlaterDet::write. We may...
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