Merge pull request #129 from Exabyte-io/chore/SOF-7447

SOF-7447: change assets
Exabyte-io · Dec 5, 2024 · 7b954de · 7b954de
2 parents 83dab15 + 8650d74
commit 7b954de
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Showing 18 changed files with 24 additions and 24 deletions.
diff --git a/assets/espresso/neb.j2.in b/assets/espresso/neb.j2.in
@@ -6,7 +6,7 @@ BEGIN_PATH_INPUT
   nstep_path        = 50,
   ds                = 2.D0,
   opt_scheme        = "broyden",
-  num_of_images     = {{ 2 + (input.INTERMEDIATE_IMAGES.length || neb.nImages) }},
+  num_of_images     = {{ 2 + (input.INTERMEDIATE_IMAGES.length or neb.nImages) }},
   k_max             = 0.3D0,
   k_min             = 0.2D0,
   CI_scheme         = "auto",

diff --git a/assets/espresso/ph_single_irr_qpt.j2.in b/assets/espresso/ph_single_irr_qpt.j2.in
@@ -1,12 +1,12 @@
 &INPUTPH
     tr2_ph = 1.0d-18
     ldisp = .true.
-    {% raw -%}
+    {% raw %}
     start_q = {{MAP_DATA.qpoint}}
     last_q = {{MAP_DATA.qpoint}}
     start_irr = {{MAP_DATA.irr}}
     last_irr= {{MAP_DATA.irr}}
-    {%- endraw %}
+    {% endraw %}
     recover = .true.
     fildyn = 'dyn'
     prefix = '__prefix__'

diff --git a/assets/espresso/pw_bands_dft_u_soc.j2.in b/assets/espresso/pw_bands_dft_u_soc.j2.in
@@ -40,7 +40,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_bands_dft_u_soc_legacy.j2.in b/assets/espresso/pw_bands_dft_u_soc_legacy.j2.in
@@ -46,7 +46,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_bands_soc.j2.in b/assets/espresso/pw_bands_soc.j2.in
@@ -40,7 +40,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_nscf_dft_u_soc.j2.in b/assets/espresso/pw_nscf_dft_u_soc.j2.in
@@ -37,7 +37,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_nscf_dft_u_soc_legacy.j2.in b/assets/espresso/pw_nscf_dft_u_soc_legacy.j2.in
@@ -43,7 +43,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_nscf_soc.j2.in b/assets/espresso/pw_nscf_soc.j2.in
@@ -37,7 +37,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_scf_bands_hse.j2.in b/assets/espresso/pw_scf_bands_hse.j2.in
@@ -42,11 +42,11 @@ CELL_PARAMETERS angstrom
 {{ input.CELL_PARAMETERS }}
 K_POINTS crystal
 {{ '{{' }} {{ explicitKPath.length }} {% raw %} + KPOINTS|length }} {% endraw %}
-{%- raw %}
+{% raw %}
 {% for point in KPOINTS -%}
     {% for d in point.coordinates %}{{ "%14.9f"|format(d) }} {% endfor -%}{{ point.weight }}
 {% endfor %}
-{% endraw -%}
+{% endraw %}
 {% for point in explicitKPath -%}
 {% for d in point.coordinates %}{{d}} {% endfor -%}0.0000001
 {% endfor %}
diff --git a/assets/espresso/pw_scf_dft_u_soc.j2.in b/assets/espresso/pw_scf_dft_u_soc.j2.in
@@ -40,7 +40,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_scf_dft_u_soc_legacy.j2.in b/assets/espresso/pw_scf_dft_u_soc_legacy.j2.in
@@ -46,7 +46,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/espresso/pw_scf_soc.j2.in b/assets/espresso/pw_scf_soc.j2.in
@@ -40,7 +40,7 @@
 {%- if nonCollinearMagnetization.isExistingChargeDensity and nonCollinearMagnetization.lforcet %}
     lforcet = .true.
 {%- endif %}
-{%- if nonCollinearMagnetization.isExistingChargeDensity and !nonCollinearMagnetization.lforcet %}
+{%- if nonCollinearMagnetization.isExistingChargeDensity and not nonCollinearMagnetization.lforcet %}
     lforcet = .false.
 {%- endif %}
 {%- if nonCollinearMagnetization.isArbitrarySpinDirection %}

diff --git a/assets/python/espresso_xml_get_qpt_irr.pyi b/assets/python/espresso_xml_get_qpt_irr.pyi
@@ -11,10 +11,10 @@ import json
 from xml.dom import minidom
 
 {# JOB_WORK_DIR will be initialized at runtime => avoid substituion below #}
-{%- raw -%}
+{% raw %}
 CONTROL_PH_FILENAME = "{{JOB_WORK_DIR}}/outdir/_ph0/__prefix__.phsave/control_ph.xml"
 PATTERNS_FILENAME = "{{JOB_WORK_DIR}}/outdir/_ph0/__prefix__.phsave/patterns.{}.xml"
-{%- endraw -%}
+{% endraw %}
 
 # get integer content of an xml tag in a document
 def get_int_by_tag_name(doc, tag_name):

diff --git a/assets/shell/bash_espresso_collect_dynmat.j2.sh b/assets/shell/bash_espresso_collect_dynmat.j2.sh
@@ -1,5 +1,5 @@
-{%- raw -%}
+{% raw %}
 #!/bin/bash
 
 cp {{ JOB_SCRATCH_DIR }}/outdir/_ph0/__prefix__.phsave/dynmat* {{ JOB_WORK_DIR }}/../outdir/_ph0/__prefix__.phsave
-{%- endraw -%}
+{% endraw %}
diff --git a/assets/shell/bash_espresso_link_outdir_save.j2.sh b/assets/shell/bash_espresso_link_outdir_save.j2.sh
@@ -1,7 +1,7 @@
-{%- raw -%}
+{% raw %}
 #!/bin/bash
 
 mkdir -p {{ JOB_SCRATCH_DIR }}/outdir/_ph0
 cd {{ JOB_SCRATCH_DIR }}/outdir
 cp -r {{ JOB_WORK_DIR }}/../outdir/__prefix__.* .
-{%- endraw -%}
+{% endraw %}
diff --git a/assets/shell/bash_vasp_prepare_neb_images.j2.sh b/assets/shell/bash_vasp_prepare_neb_images.j2.sh
@@ -11,9 +11,9 @@
 #  directories to calculate the reaction energy profile.
 # ------------------------------------------------------------------ #
 
-{% raw -%}
+{% raw %}
 cd {{ JOB_WORK_DIR }}
-{%- endraw %}
+{% endraw %}
 
 # Prepare First Directory
 mkdir -p 00

diff --git a/assets/vasp/INCAR_neb.j2 b/assets/vasp/INCAR_neb.j2
@@ -4,6 +4,6 @@ EDIFFG = -0.001
 ENCUT = 500
 NELM = 100
 NSW = 100
-IMAGES = {{ input.INTERMEDIATE_IMAGES.length || neb.nImages }}
+IMAGES = {{ input.INTERMEDIATE_IMAGES.length or neb.nImages }}
 SPRING = -5
 ISPIN = 2
diff --git a/src/js/data/templates.js b/src/js/data/templates.js