fprettify | extract_forceconstants

tdep-developers · Dec 11, 2024 · 7695bd3 · 7695bd3
1 parent ff259ee
commit 7695bd3
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Showing 2 changed files with 7 additions and 7 deletions.
diff --git a/src/extract_forceconstants/main.f90 b/src/extract_forceconstants/main.f90
@@ -346,7 +346,7 @@ program extract_forceconstants
             end do
             write (*, *) 'ELASTIC CONSTANTS (total) (GPa):'
             do i = 1, 6
-                write (*, "(6(3X,F15.5))") lo_chop( (fc2%elastic_constants_voigt(:, i) + fc2%elastic_constants_voigt_longrange(:, i))*lo_pressure_HartreeBohr_to_GPa, lo_tol)
+                write (*, "(6(3X,F15.5))") lo_chop((fc2%elastic_constants_voigt(:, i) + fc2%elastic_constants_voigt_longrange(:, i))*lo_pressure_HartreeBohr_to_GPa, lo_tol)
             end do
         end if
     end if

diff --git a/src/extract_forceconstants/options.f90 b/src/extract_forceconstants/options.f90
@@ -124,17 +124,17 @@ subroutine parse(opts)
                       &These can be used to find the finite temperature equilibrium structure.', &
                  required=.false., act='store_true', def='.false.', error=lo_status)
     if (lo_status .ne. 0) stop
-    call cli%add(switch='--readforcemap',hidden=.true., &
+    call cli%add(switch='--readforcemap', hidden=.true., &
                  help='Read `infile.forcemap.hdf5` from file instead of calculating &
                       &all symmetry relations. Useful for sets of calculations with the same structure.', &
                  required=.false., act='store_true', def='.false.', error=lo_status)
     if (lo_status .ne. 0) stop
-    call cli%add(switch='--readirreducible',hidden=.true., &
+    call cli%add(switch='--readirreducible', hidden=.true., &
                  help='Read the irreducible forceconstants from `infile.irrifc_*` &
                       &instead of solving for them. This option requires an `infile.forcemap.hdf5`, as above.', &
                  required=.false., act='store_true', def='.false.', error=lo_status)
     if (lo_status .ne. 0) stop
-    call cli%add(switch='--potential_energy_differences', switch_ab='-U0',hidden=.true., &
+    call cli%add(switch='--potential_energy_differences', switch_ab='-U0', hidden=.true., &
                  help='Calculate the difference in potential energy from the &
                       &simulation and the forceconstants to determine U0.', &
                  help_markdown='As referenced in the thermodynamics section of &
@@ -146,12 +146,12 @@ subroutine parse(opts)
                                &This number should be added to the appropriate phonon free energy.', &
                  required=.false., act='store_true', def='.false.', error=lo_status)
     if (lo_status .ne. 0) stop
-    call cli%add(switch='--printforcemap',hidden=.true., &
+    call cli%add(switch='--printforcemap', hidden=.true., &
                  help='Print `outfile.forcemap.hdf5` for reuse.', &
                  required=.false., act='store_true', def='.false.', error=lo_status)
     if (lo_status .ne. 0) stop
-    call cli%add(switch='--temperature',&
-                 help='Temperature for self-consistent solver.',&
+    call cli%add(switch='--temperature', &
+                 help='Temperature for self-consistent solver.', &
                  required=.false., act='store', def='-1', error=lo_status)
     if (lo_status .ne. 0) stop