chore: template files renamed

assets/espresso/pw.x.j2 → assets/espresso/pw.x.in.j2

@@ -58,10 +58,10 @@ nks
 
 {% if hubbard %}HUBBARD {{hubbard.card_option}}
 {% for row in hubbard.values -%}
-{% if row.hubbard_param == "V" -%}
-{{row.hubbard_param}} {{ row["label(I)"] }}-{{ row["manifold(I)"] }} {{ row["label(J)"] }}-{{ row["manifold(J)"] }} {{row.I}} {{row.J}} {{ row.hubbard_val }}
+{% if row.paramType == V -%}
+{{row.V}} {{ row["label(I)"] }}-{{ row["manifold(I)"] }} {{ row["label(J)"] }}-{{ row["manifold(J)"] }} {{row.I}} {{row.J}} {{ row.v_val }}
 {% else -%}
-{{row.hubbard_param}} {{ row.label }}-{{ row.manifold }} {{ row.hubbard_val }}
+{{row.paramType}} {{ row.label }}-{{ row.manifold }} {{ row.paramValue }}
 {% endif %}
 {%- endfor -%}
 {% endif %}

templates/espresso/average.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/average.x.j2'
+- content: !readFile 'assets/espresso/average.x.in.j2'
   name: average.in
   applicationName: espresso
   executableName: average.x

templates/espresso/bands.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/bands.x.j2'
+- content: !readFile 'assets/espresso/bands.x.in.j2'
   name: bands.in
   applicationName: espresso
   executableName: bands.x

templates/espresso/dos.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/dos.x.j2'
+- content: !readFile 'assets/espresso/dos.x.in.j2'
   name: dos.in
   applicationName: espresso
   executableName: dos.x

templates/espresso/dynmat.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/matdyn.x.j2'
+- content: !readFile 'assets/espresso/matdyn.x.in.j2'
   name: dynmat_grid.in
   applicationName: espresso
   executableName: dynmat.x

templates/espresso/epsilon.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/epsilon.x.j2'
+- content: !readFile 'assets/espresso/epsilon.x.in.j2'
   name: epsilon.in
   applicationName: espresso
   executableName: epsilon.x

templates/espresso/gw.x.yml

@@ -1,9 +1,9 @@
-- content: !readFile 'assets/espresso/gw.x.j2'
+- content: !readFile 'assets/espresso/gw.x.in.j2'
   name: gw_bands_plasmon_pole.in
   applicationName: espresso
   executableName: gw.x
 
-- content: !readFile 'assets/espresso/gw.x.j2'
+- content: !readFile 'assets/espresso/gw.x.in.j2'
   name: gw_bands_full_frequency.in
   applicationName: espresso
   executableName: gw.x

templates/espresso/hp.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/hp.x.j2'
+- content: !readFile 'assets/espresso/hp.x.in.j2'
   name: hp.in
   applicationName: espresso
   executableName: hp.x

templates/espresso/matdyn.x.yml

@@ -1,9 +1,9 @@
-- content: !readFile 'assets/espresso/matdyn.x.j2'
+- content: !readFile 'assets/espresso/matdyn.x.in.j2'
   name: matdyn_grid.in
   applicationName: espresso
   executableName: matdyn.x
 
-- content: !readFile 'assets/espresso/matdyn.x.j2'
+- content: !readFile 'assets/espresso/matdyn.x.in.j2'
   name: matdyn_path.in
   applicationName: espresso
   executableName: matdyn.x

templates/espresso/neb.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/neb.x.j2'
+- content: !readFile 'assets/espresso/neb.x.in.j2'
   name: neb.in
   applicationName: espresso
   executableName: neb.x

templates/espresso/ph.x.yml

@@ -1,29 +1,29 @@
-- content: !readFile 'assets/espresso/ph.x.j2'
+- content: !readFile 'assets/espresso/ph.x.in.j2'
   name: ph_grid.in
   applicationName: espresso
   executableName: ph.x
 
-- content: !readFile 'assets/espresso/ph.x.j2'
+- content: !readFile 'assets/espresso/ph.x.in.j2'
   name: ph_path.in
   applicationName: espresso
   executableName: ph.x
 
-- content: !readFile 'assets/espresso/ph.x.j2'
+- content: !readFile 'assets/espresso/ph.x.in.j2'
   name: ph_gamma.in
   applicationName: espresso
   executableName: ph.x
 
-- content: !readFile 'assets/espresso/ph.x.j2'
+- content: !readFile 'assets/espresso/ph.x.in.j2'
   name: ph_init_qpoints.in
   applicationName: espresso
   executableName: ph.x
 
-- content: !readFile 'assets/espresso/ph.x.j2'
+- content: !readFile 'assets/espresso/ph.x.in.j2'
   name: ph_grid_restart.in
   applicationName: espresso
   executableName: ph.x
 
-- content: !readFile 'assets/espresso/ph.x.j2'
+- content: !readFile 'assets/espresso/ph.x.in.j2'
   name: ph_single_irr_qpt.in
   applicationName: espresso
   executableName: ph.x

templates/espresso/pp.x.yml

@@ -1,9 +1,9 @@
-- content: !readFile 'assets/espresso/pp.x.j2'
+- content: !readFile 'assets/espresso/pp.x.in.j2'
   name: pp_density.in
   applicationName: espresso
   executableName: pp.x
 
-- content: !readFile 'assets/espresso/pp.x.j2'
+- content: !readFile 'assets/espresso/pp.x.in.j2'
   name: pp_electrostatic_potential.in
   applicationName: espresso
   executableName: pp.x

templates/espresso/projwfc.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/projwfc.x.j2'
+- content: !readFile 'assets/espresso/projwfc.x.in.j2'
   name: projwfc.in
   applicationName: espresso
   executableName: projwfc.x

templates/espresso/pw.x.yml

@@ -1,54 +1,54 @@
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_scf.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_scf_bands_hse.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_esm.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_esm_relax.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_scf_kpt_conv.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_nscf.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_relax.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_vc_relax.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_bands.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_scf_hse.in
   applicationName: espresso
   executableName: pw.x
 
-- content: !readFile 'assets/espresso/pw.x.j2'
+- content: !readFile 'assets/espresso/pw.x.in.j2'
   name: pw_scf_dft_u.in
   applicationName: espresso
   executableName: pw.x

templates/espresso/q2r.x.yml

@@ -1,4 +1,4 @@
-- content: !readFile 'assets/espresso/q2r.x.j2'
+- content: !readFile 'assets/espresso/q2r.x.in.j2'
   name: q2r.in
   applicationName: espresso
   executableName: q2r.x