Use the test procedures from QDUtil library

lauvergn · Feb 23, 2023 · 1367c38 · 1367c38
1 parent ea8fbe1
commit 1367c38
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Showing 58 changed files with 4,633 additions and 4,222 deletions.
diff --git a/APP/TEST_OMPloop.f90 b/APP/TEST_OMPloop.f90
@@ -58,7 +58,7 @@ PROGRAM main_pot
   nsurf     = 1
   option    = 0
   adiabatic = .TRUE.
-  nb_eval   = 10**5
+  nb_eval   = 10**6
   pot_name  = 'HONO'
   CALL sub_Init_Qmodel(ndim,nsurf,pot_name,adiabatic,option)  ! a new initialization
 
@@ -108,16 +108,4 @@ PROGRAM main_pot
   write(*,*) '============================================================'
   write(*,*) '============================================================'
 
-END PROGRAM main_pot
-SUBROUTINE QML_time_perso(name_sub)
-  USE QDUtil_m, ONLY : time_perso
-  IMPLICIT NONE
-
-  character (len=*) :: name_sub
-
-
-  !$OMP    CRITICAL (QML_time_perso_CRIT)
-  CALL time_perso(name_sub)
-  !$OMP   END CRITICAL (QML_time_perso_CRIT)
-
-END SUBROUTINE QML_time_perso
+END PROGRAM main_pot
diff --git a/APP/TEST_VibAdia.f90 b/APP/TEST_VibAdia.f90
@@ -38,7 +38,7 @@
 !===========================================================================
 !===========================================================================
 PROGRAM TEST_adia
-  USE QDUtil_NumParameters_m, out_unitp => out_unit, in_unitp => in_unit
+  USE QDUtil_NumParameters_m
   USE ADdnSVM_m
   USE Model_m
   IMPLICIT NONE
@@ -60,9 +60,9 @@ PROGRAM TEST_adia
   DO iq=0,nq
     Qact = [4.0_Rkind+iq*dQ]
     CALL Eval_Pot(QModel,Qact,PotVal,NAC=NAC,nderiv=1)
-    !write(out_unitp,*) 'NAC'
-    !CALL Write_RMat(NAC%d1(:,:,1),out_unitp,6,name_info='NAC')
-    write(out_unitp,*) Qact,'Ene',(PotVal%d0(i,i)*auTOcm_inv,i=1,get_nsurf(PotVal))
+    !write(out_unit,*) 'NAC'
+    !CALL Write_RMat(NAC%d1(:,:,1),out_unit,6,name_info='NAC')
+    write(out_unit,*) Qact,'Ene',(PotVal%d0(i,i)*auTOcm_inv,i=1,get_nsurf(PotVal))
   END DO
 
 END PROGRAM TEST_adia