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Coding convention: use cp_gemm only

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svn-origin-rev: 16972
This commit is contained in:
Jürg Hutter 2016-05-31 11:58:23 +00:00
parent 62753c67ff
commit 24ec405cc5
1 changed files with 3 additions and 4 deletions
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7
src/qs_active_space_methods.F
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@ -29,8 +29,7 @@ MODULE qs_active_space_methods
cp_dbcsr_sm_fm_multiply
USE cp_files, ONLY: close_file,&
open_file
USE cp_fm_basic_linalg, ONLY: cp_fm_column_scale,&
cp_fm_gemm
USE cp_fm_basic_linalg, ONLY: cp_fm_column_scale
USE cp_fm_diag, ONLY: cp_fm_syevd
USE cp_fm_struct, ONLY: cp_fm_struct_create,&
cp_fm_struct_release,&
@ -1794,7 +1793,7 @@ CONTAINS
! R = C * U
CALL get_mo_set(mos(ispin)%mo_set, mo_coeff=fm_active, nao=nao, nmo=nmo)
CALL cp_fm_create(vec, fm_active%matrix_struct)
CALL cp_fm_gemm("N", "N", nao, nmo, nmo, 1.0_dp, fm_active, lmat, 0.0_dp, vec)
CALL cp_gemm("N", "N", nao, nmo, nmo, 1.0_dp, fm_active, lmat, 0.0_dp, vec)
CALL cp_dbcsr_plus_fm_fm_t(sparse_matrix=rho_ao(ispin)%matrix, &
matrix_v=vec, ncol=nmo, alpha=1.0_dp)
CALL cp_fm_release(vec)
@ -1843,7 +1842,7 @@ CONTAINS
END DO
CALL cp_fm_to_fm(vmat, bmat)
CALL cp_fm_column_scale(bmat, eigv)
CALL cp_fm_gemm("N", "T", n, n, n, 1.0_dp, bmat, vmat, 0.0_dp, amat)
CALL cp_gemm("N", "T", n, n, n, 1.0_dp, bmat, vmat, 0.0_dp, amat)
! clean up
DEALLOCATE (eigv)
CALL cp_fm_release(vmat)