Commit 95706a6a authored by Fabiano Corsetti's avatar Fabiano Corsetti

fixup! Completed libOMM Doxygen documentation

parent 39d49dc9
......@@ -17,7 +17,7 @@ contains
!> @brief Calculate the gradient of the Kim functional.
!!
!! Performs the operation:
!! G = 2*(2*H*C - S*C*H_W - H*C*S_W)
!! G := 2*(2*H*C - S*C*H_W - H*C*S_W)
!!
!! @param[in] HW Hamiltonian matrix in WF basis.
!! @param[in] SW Overlap matrix in WF basis.
......@@ -56,7 +56,7 @@ end subroutine calc_G
!> @brief Calculate the operator matrix in the WF basis.
!!
!! Performs the operation:
!! A_W = C^H*A*C
!! A_W := C^H*A*C
!!
!! @param[in] A Operator matrix in AO basis.
!! @param[in] C WF coefficients matrix.
......@@ -92,7 +92,7 @@ end subroutine calc_AW
!> @brief Calculate the operator matrix in the WF basis (callback function).
!!
!! Performs the operation:
!! H_W = C^H*H*C
!! H_W := C^H*H*C
!!
!! @param[in] H Operator apply callback function.
!! @param[in] C WF coefficients matrix.
......@@ -138,7 +138,7 @@ end subroutine calc_HW_callback
!> @brief Calculate the operator matrix in the AO basis.
!!
!! Performs the operation:
!! A = C*A_W*C^H
!! A := C*A_W*C^H
!!
!! @param[in] AW Operator matrix in WF basis.
!! @param[in] C1 WF coefficients matrix.
......@@ -174,11 +174,11 @@ end subroutine calc_A
!> @brief Calculate the operator matrix in the AO basis with a pre-multiplier.
!!
!! Performs the operation:
!! A = (P*C)*A_W*C^H
!! A := (C*P)*A_W*C^H
!!
!! @param[in] AW Operator matrix in WF basis.
!! @param[in] C1 WF coefficients matrix C.
!! @param[in] C2 Pre-multiplied WF coefficients matrix P*C.
!! @param[in] C2 Post-multiplied WF coefficients matrix C*P.
!! @param[inout] A Operator matrix in AO basis.
!! @param[inout] CAW Work matrix.
!! @param[in] m_operation Implementation of the MatrixSwitch operations to
......@@ -915,10 +915,10 @@ end subroutine m_ztransform
!> @brief Back-transformation of coefficients.
!!
!! Back-transforms the coefficients C using the factor A:
!! C := C*A^H
!! X*A^H = C
!!
!! @param[inout] A Matrix A.
!! @param[inout] C Matrix C.
!! @param[inout] C Matrix C. On exit, overwritten with X.
!! @param[in] label Implementation of the operation to use. See online
!! documentation for the list of available implementations.
!==============================================================================!
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment