From 918445e320b1f3d1a743d180f29ff29f7151e93f Mon Sep 17 00:00:00 2001 From: wqzhou <33364058+WHUweiqingzhou@users.noreply.github.com> Date: Fri, 10 Nov 2023 16:05:38 +0800 Subject: [PATCH] Docs: correct `scalapack-gvx` into `scalapack_gvx` (#3190) * improved implementation of kerker preconditioner * fix bug in charge_mixing_test * make corresponding changes in Documentation after PR#3133 * extra add * correct 'scalapack-gvx' into 'scalapack_gvx' --- docs/advanced/input_files/input-main.md | 2 +- source/module_hsolver/hsolver.h | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/advanced/input_files/input-main.md b/docs/advanced/input_files/input-main.md index 9ce47295de..f34ceeb1bd 100644 --- a/docs/advanced/input_files/input-main.md +++ b/docs/advanced/input_files/input-main.md @@ -868,7 +868,7 @@ calculations. For atomic orbitals basis, - **genelpa**: This method should be used if you choose localized orbitals. - - **scalapack-gvx**: Scalapack can also be used for localized orbitals. + - **scalapack_gvx**: Scalapack can also be used for localized orbitals. - **cusolver**: (Unavailable currently, it will be fixed in future versions) This method needs building with the cusolver component for lcao and at least one gpu is available. If you set ks_solver=`genelpa` for basis_type=`pw`, the program will be stopped with an error message: diff --git a/source/module_hsolver/hsolver.h b/source/module_hsolver/hsolver.h index 643aece478..c498efa5f1 100644 --- a/source/module_hsolver/hsolver.h +++ b/source/module_hsolver/hsolver.h @@ -59,7 +59,7 @@ class HSolver std::string classname = "none"; // choose method of DiagH for solve Hamiltonian matrix - // cg, dav, elpa, scalapack-gvx, cusolver + // cg, dav, elpa, scalapack_gvx, cusolver std::string method = "none"; public: Real diag_ethr=0.0; //threshold for diagonalization