Format .jl files

MineralsCloud · Dec 12, 2023 · 106bb7f · 106bb7f
1 parent cd6daf6
commit 106bb7f
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Showing 3 changed files with 48 additions and 59 deletions.
diff --git a/docs/make.jl b/docs/make.jl
@@ -1,7 +1,9 @@
 using QuantumESPRESSOExpress
 using Documenter
 
-DocMeta.setdocmeta!(QuantumESPRESSOExpress, :DocTestSetup, :(using QuantumESPRESSOExpress); recursive=true)
+DocMeta.setdocmeta!(
+    QuantumESPRESSOExpress, :DocTestSetup, :(using QuantumESPRESSOExpress); recursive=true
+)
 
 makedocs(;
     modules=[QuantumESPRESSOExpress],
@@ -16,9 +18,7 @@ makedocs(;
     ),
     pages=[
         "Home" => "index.md",
-        "Manual" => [
-            "Installation guide" => "installation.md",
-        ],
+        "Manual" => ["Installation guide" => "installation.md"],
         # "API Reference" => "public.md",
         "Developer Docs" => [
             "Contributing" => "developers/contributing.md",
@@ -29,7 +29,4 @@ makedocs(;
     ],
 )
 
-deploydocs(;
-    repo="github.com/MineralsCloud/QuantumESPRESSOExpress.jl",
-    devbranch="main",
-)
+deploydocs(; repo="github.com/MineralsCloud/QuantumESPRESSOExpress.jl", devbranch="main")
diff --git a/test/EquationOfState.jl b/test/EquationOfState.jl
@@ -14,25 +14,23 @@ using UnitfulAtomic
 @testset "Load a configuration file: GaN" begin
     dict = load("../examples/GaN/eos.yaml")
     config = ExpandConfig{SCF}()(dict)
-    @test config.template == PWInput(
-        control = ControlNamelist(
-            pseudo_dir = "/home/qe/pseudo",
-            prefix = "GaN",
-            outdir = "./tmp",
+    @test config.template == PWInput(;
+        control=ControlNamelist(;
+            pseudo_dir="/home/qe/pseudo", prefix="GaN", outdir="./tmp"
         ),
-        system = SystemNamelist(
-            ibrav = 4,
-            celldm = [5.95484286816, nothing, 1.63011343669],
-            nat = 4,
-            ntyp = 2,
-            ecutwfc = 160,
+        system=SystemNamelist(;
+            ibrav=4,
+            celldm=[5.95484286816, nothing, 1.63011343669],
+            nat=4,
+            ntyp=2,
+            ecutwfc=160,
         ),
-        electrons = ElectronsNamelist(conv_thr = 1e-10),
-        atomic_species = AtomicSpeciesCard([
+        electrons=ElectronsNamelist(; conv_thr=1e-10),
+        atomic_species=AtomicSpeciesCard([
             AtomicSpecies("Ga", 69.723, "Ga.pbe-dn-kjpaw_psl.1.0.0.UPF"),
             AtomicSpecies("N", 14.007, "N.pbe-n-kjpaw_psl.1.0.0.UPF"),
         ]),
-        atomic_positions = AtomicPositionsCard(
+        atomic_positions=AtomicPositionsCard(
             [
                 AtomicPosition("Ga", [0.666666667, 0.333333333, -0.000051966]),
                 AtomicPosition("N", [0.666666667, 0.333333333, 0.376481188]),
@@ -41,10 +39,10 @@ using UnitfulAtomic
             ],
             "crystal",
         ),
-        k_points = KMeshCard(MonkhorstPackGrid([6, 6, 6], [1, 1, 1])),
+        k_points=KMeshCard(MonkhorstPackGrid([6, 6, 6], [1, 1, 1])),
     )
     @test config.trial_eos ==
-          BirchMurnaghan3rd(317.0u"bohr^3", 210u"GPa", 4, -612.43149513u"Ry")
+        BirchMurnaghan3rd(317.0u"bohr^3", 210u"GPa", 4, -612.43149513u"Ry")
     @test config.fixed == [-5, 0, 5, 10, 15, 20, 25, 30] * u"GPa"
     if !Sys.iswindows()
         @test config.save_raw == config.root * "/raw.json"
@@ -56,24 +54,18 @@ end
 @testset "Load a configuration file: Ge" begin
     dict = load("../examples/Ge/eos.yaml")
     config = ExpandConfig{SCF}()(dict)
-    @test config.template == PWInput(
-        control = ControlNamelist(pseudo_dir = "./pseudo", prefix = "Ge", outdir = "./"),
-        system = SystemNamelist(
-            ibrav = 2,
-            celldm = [7.957636],
-            nat = 2,
-            ntyp = 1,
-            ecutwfc = 55,
-        ),
-        electrons = ElectronsNamelist(conv_thr = 1e-10),
-        atomic_species = AtomicSpeciesCard([
-            AtomicSpecies("Ge", 72.64, "Ge.pz-dn-kjpaw_psl.0.2.2.UPF"),
+    @test config.template == PWInput(;
+        control=ControlNamelist(; pseudo_dir="./pseudo", prefix="Ge", outdir="./"),
+        system=SystemNamelist(; ibrav=2, celldm=[7.957636], nat=2, ntyp=1, ecutwfc=55),
+        electrons=ElectronsNamelist(; conv_thr=1e-10),
+        atomic_species=AtomicSpeciesCard([
+            AtomicSpecies("Ge", 72.64, "Ge.pz-dn-kjpaw_psl.0.2.2.UPF")
         ]),
-        atomic_positions = AtomicPositionsCard(
+        atomic_positions=AtomicPositionsCard(
             [AtomicPosition("Ge", [0, 0, 0]), AtomicPosition("Ge", [0.75, 0.75, 0.75])],
             "crystal",
         ),
-        k_points = KMeshCard(MonkhorstPackGrid([6, 6, 6], [1, 1, 1])),
+        k_points=KMeshCard(MonkhorstPackGrid([6, 6, 6], [1, 1, 1])),
     )
     @test config.trial_eos == BirchMurnaghan3rd(300.44u"bohr^3", 74.88u"GPa", 4.82)
     @test config.fixed == [-5, -2, 0, 5, 10, 15, 17, 20] * u"GPa"

diff --git a/test/PhononWorkflow.jl b/test/PhononWorkflow.jl
@@ -16,33 +16,33 @@ using UnitfulAtomic
     @test config.template.dfpt == PhInput(
         "Phonon",
         PhNamelist(;
-            verbosity = "high",
-            fildyn = "dyn",
-            outdir = "./tmp",
-            prefix = "Ge",
-            ldisp = true,
-            tr2_ph = 1e-14,
-            nq1 = 2,
-            nq2 = 2,
-            nq3 = 2,
-            amass = [72.64],
+            verbosity="high",
+            fildyn="dyn",
+            outdir="./tmp",
+            prefix="Ge",
+            ldisp=true,
+            tr2_ph=1e-14,
+            nq1=2,
+            nq2=2,
+            nq3=2,
+            amass=[72.64],
         ),
         nothing,
     )
     @test config.template.q2r ==
-          Q2rInput(Q2rNamelist(; fildyn = "dyn", zasr = "crystal", flfrc = "fc.out"))
+        Q2rInput(Q2rNamelist(; fildyn="dyn", zasr="crystal", flfrc="fc.out"))
     @test config.template.disp == MatdynInput(
         MatdynNamelist(;
-            asr = "crystal",
-            amass = [72.64],
-            flfrc = "fc.out",
-            flfrq = "freq.out",
-            flvec = "modes.out",
-            dos = true,
-            q_in_band_form = false,
-            nk1 = 8,
-            nk2 = 8,
-            nk3 = 8,
+            asr="crystal",
+            amass=[72.64],
+            flfrc="fc.out",
+            flfrq="freq.out",
+            flvec="modes.out",
+            dos=true,
+            q_in_band_form=false,
+            nk1=8,
+            nk2=8,
+            nk3=8,
         ),
     )
     @test config.fixed == [-5, -2, 0, 5, 10, 15, 17, 20] * u"GPa"