LCAO buffer

Description

Change the buffer to be from single precision to be double precision.

This increases the memory footprint but makes that the results remain identical when changing the parallelization. The result of the test finite_systems_3d/01-carbon become identical for non-MPI and MPI builders when we do this.

Checklist

• I have checked that my code follows the Octopus coding standards
• I have added tests for all the new features added in this request.

testsuite/finite_systems_3d/30-local_multipoles.test

@@ -42,7 +42,7 @@ Precision: 1.00e-01
 match ;  H3 - Restart shape   ; GREPFIELD(restart/ld/ldomains.info, 'H3', 3) ; 4.0
 Precision: 1.00e-01
 match ;  H4 - Restart shape   ; GREPFIELD(restart/ld/ldomains.info, 'H4', 3) ; 2.0
-Precision: 5.47e-14
+Precision: 9.8e-14
 match ;  C    Electrons    ; LINEFIELD(local.general/multipoles/C.multipoles, -1, 3) ; 4.26887617511351
 Precision: 1.0e-13
 match ;  C    Multipole x  ; LINEFIELD(local.general/multipoles/C.multipoles, -1, 4) ; 0.0
@@ -78,7 +78,7 @@ Precision: 3.73e-14
 match ;  H4   Electrons    ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 3) ; 0.745822854288309
 Precision: 3.91e-15
 match ;  H4   Multipole x  ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 4) ; -0.0782527772802898
-Precision: 1.66e-15
+Precision: 2e-14
 match ;  H4   Multipole y  ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 5) ; 0.0690254329926357
 Precision: 3.45e-15
 match ;  H4   Multipole z  ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 6) ; -0.0690254329926359
@@ -149,7 +149,7 @@ Precision: 1.00e-01
 match ;  H3 - Restart shape   ; GREPFIELD(restart/ld/ldomains.info, 'H3', 3) ; 4.0
 Precision: 1.00e-01
 match ;  H4 - Restart shape   ; GREPFIELD(restart/ld/ldomains.info, 'H4', 3) ; 2.0
-Precision: 5.47e-14
+Precision: 9.8e-14
 match ;  C    Electrons    ; LINEFIELD(local.general/multipoles/C.multipoles, -1, 3) ; 4.26887617511351
 Precision: 1.0e-13
 match ;  C    Multipole x  ; LINEFIELD(local.general/multipoles/C.multipoles, -1, 4) ; 0.0
@@ -185,7 +185,7 @@ Precision: 3.73e-14
 match ;  H4   Electrons    ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 3) ; 0.745822854288309
 Precision: 3.91e-15
 match ;  H4   Multipole x  ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 4) ; -0.0782527772802898
-Precision: 1.66e-15
+Precision: 2.0e-14
 match ;  H4   Multipole y  ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 5) ; 0.0690254329926357
 Precision: 3.45e-15
 match ;  H4   Multipole z  ; LINEFIELD(local.general/multipoles/H4.multipoles, -1, 6) ; -0.0690254329926359