New benchmark for testw90_example26 which takes in consideration the …

…changes from PR wannier-developers#206. Moreover, the userconfig file, jobcongif file and parse_wout.py file have been modified to check the value if Omega IOD_C, Omega Rest, Penalty func and Omega Total_C
VVitale · Oct 8, 2018 · 1e791bd · 1e791bd
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diff --git a/src/wannierise.F90 b/src/wannierise.F90
@@ -1683,9 +1683,8 @@ subroutine wann_omega(csheet, sheet, rave, r2ave, rave2, wann_spread)
     !!   Calculate the Wannier Function spread                         !
     !                                                                  !
     ! Modified by Valerio Vitale for the SLWF+C method (PRB 90, 165125)!
-    ! Jun 2018
-    ! Based on a previous implementation by Charles T. Johnson
-    ! and original implementation by Radu Miron
+    ! Jun 2018, based on previous work by Charles T. Johnson and       !
+    ! Radu Miron at Implerial College London
     !===================================================================
     use w90_parameters, only: num_wann, m_matrix, nntot, wb, bk, num_kpts, &
       omega_invariant, timing_level, &
@@ -1958,9 +1957,8 @@ subroutine wann_domega(csheet, sheet, rave, cdodq)
     !   Calculate the Gradient of the Wannier Function spread          !
     !                                                                  !
     ! Modified by Valerio Vitale for the SLWF+C method (PRB 90, 165125)!
-    ! Jun 2018
-    ! Based on a previous implementation by Charles T. Johnson
-    ! and original implementation by Radu Miron
+    ! Jun 2018, based on previous work by Charles T. Johnson and       !
+    ! Radu Miron at Implerial College London
     !===================================================================
     use w90_parameters, only: num_wann, wb, bk, nntot, m_matrix, num_kpts, &
       timing_level, selective_loc, &

diff --git a/test-suite/tests/jobconfig b/test-suite/tests/jobconfig
@@ -310,7 +310,7 @@ output = gaas-sc_xyz.dat
 
 # Test of selective localization and constrained centres
 [testw90_example26]
-program = WANNIER90_WOUT_OK
+program = WANNIER90_SLWFC_WOUT_OK
 inputs_args = ('gaas.win', '')
 output = gaas.wout