From 8f6ccaaefd73a6b150fc7ac70473029c791644dc Mon Sep 17 00:00:00 2001
From: Sean Warren <seankwarren722@gmail.com>
Date: Wed, 8 Nov 2023 17:03:25 -0800
Subject: [PATCH] fix: simplify test

---
 assets/espresso/pw_manual.j2.in | 64 +--------------------------------
 1 file changed, 1 insertion(+), 63 deletions(-)

diff --git a/assets/espresso/pw_manual.j2.in b/assets/espresso/pw_manual.j2.in
index 351eb3b9..601c4937 100644
--- a/assets/espresso/pw_manual.j2.in
+++ b/assets/espresso/pw_manual.j2.in
@@ -1,67 +1,5 @@
-{% if subworkflowContext.MATERIAL_INDEX %}
-{%- set input = input.perMaterial[subworkflowContext.MATERIAL_INDEX] -%}
-{% endif -%}
-
 &CONTROL
-{%- for key, value in CONTROL %}
+{%- for key, value in input.CONTROL %}
     {{ key }} = {{ value }}
 {%- endfor %}
 /
-
-&SYSTEM
-{%- for key, value in SYSTEM %}
-    {{ key }} = {{ value }}
-{%- endfor %}
-/
-
-&ELECTRONS
-{%- for key, value in ELECTRON %}
-    {{ key }} = {{ value }}
-{%- endfor %}
-/
-
-{% if IONS %}&IONS
-{%- for key, value in IONS %}
-    {{ key }} = {{ value }}
-{%- endfor %}
-/{% endif -%}
-
-{% if CELL %}&CELL
-{%- for key, value in CELL %}
-    {{ key }} = {{ value }}
-{%- endfor %}
-/{% endif -%}
-
-ATOMIC_SPECIES
-{% for species in ATOMIC_SPECIES -%}
-{{species.X}} {{species.Mass_x}} {{species.PseudoPot_x}}
-{% endfor %}
-ATOMIC_POSITIONS {{ATOMIC_POSITIONS.card_option}}
-{% for position in ATOMIC_POSITIONS.positions -%}
-{{position.X}} {{position.x}} {{position.y}} {{position.z}} {% if 'if_pos(1)' in position -%} {{position["if_pos(1)"]}} {% endif -%} {% if 'if_pos(2)' in position -%} {{position["if_pos(2)"]}} {% endif -%} {% if 'if_pos(3)' in position -%} {{position["if_pos(3)"]}} {% endif %}
-{% endfor -%}
-
-{% if nCELL_PARAMETERS %}\nCELL_PARAMETERS {{CELL_PARAMETERS.card_option}}
-{{CELL_PARAMETERS.v1[0]}} {{CELL_PARAMETERS.v1[1]}} {{CELL_PARAMETERS.v1[2]}}
-{{CELL_PARAMETERS.v2[0]}} {{CELL_PARAMETERS.v2[1]}} {{CELL_PARAMETERS.v2[2]}}
-{{CELL_PARAMETERS.v3[0]}} {{CELL_PARAMETERS.v3[1]}} {{CELL_PARAMETERS.v3[2]}}
-{% endif %}
-K_POINTS {{K_POINTS.card_option}}
-{% if K_POINTS.card_option == "automatic" %}{% for d in K_POINTS.kgrid.dimensions %}{{ d }} {% endfor %}{% for s in K_POINTS.kgrid.shifts %}{{ s }} {% endfor %}
-{% elif K_POINTS.card_option in ["tpiba", "crystal", "tpiba_b", "crystal_b", "tpiba_c", "crystal_c"] %}
-nks
-{% for point in K_POINTS.points %}
-{{ point.xk_x }} {{ point.xk_y }} {{ point.xk_z }} {{ point.wk }}
-{% endfor %}
-{% elif K_POINTS.card_option == "gamma" %}
-{%- endif %}
-
-{% if HUBBARD %}HUBBARD {{HUBBARD.card_option}}
-{% for row in HUBBARD.values -%}
-{% 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.paramType}} {{ row.label }}-{{ row.manifold }} {{ row.paramValue }}
-{% endif %}
-{%- endfor -%}
-{% endif %}