(git:1f285aa)
qs_ot.F File Reference

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Modules

module  qs_ot
 orbital transformations
 

Functions/Subroutines

subroutine, public qs_ot::qs_ot_new_preconditioner (qs_ot_env, preconditioner)
 ... More...
 
subroutine, public qs_ot::qs_ot_get_orbitals_ref (matrix_c, matrix_s, matrix_x, matrix_sx, matrix_gx_old, matrix_dx, qs_ot_env, qs_ot_env1)
 ... More...
 
subroutine, public qs_ot::qs_ot_get_derivative_ref (matrix_hc, matrix_x, matrix_sx, matrix_gx, qs_ot_env)
 ... More...
 
subroutine, public qs_ot::qs_ot_get_p (matrix_x, matrix_sx, qs_ot_env)
 ... More...
 
subroutine, public qs_ot::qs_ot_get_orbitals (matrix_c, matrix_x, qs_ot_env)
 ... More...
 
subroutine, public qs_ot::qs_ot_get_derivative (matrix_hc, matrix_x, matrix_sx, matrix_gx, qs_ot_env)
 ... More...