Commit 95706a6a by 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. !==============================================================================! ... ...
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