psp_path as default

README.md

@@ -69,8 +69,8 @@ Preferences for SPARC-X-API and SPARC C/C++ code can be defined in ASE [configur
 ; `command`: full shell command (include MPI directives) to run SPARC
 command = srun -n 24 path/to/sparc
 
-; `pp_path`: directory containing pseudopotential files (optional)
-pp_path = path/to/SPARC/psps
+; `psp_path`: directory containing pseudopotential files (optional)
+psp_path = path/to/SPARC/psps
 
 ; `doc_path`: directory for SPARC LaTeX documentation to build JSON schema on the fly (optional)
 doc_path = path/to/SPARC/doc/.LaTeX/

doc/setup_environment.md

@@ -42,9 +42,9 @@ are grouped in sections. An example of the SPARC-specific section may look like
 ;            has the same effect as `ASE_SPARC_COMMAND`
 command = srun -n 24 ~/bin/sparc
 
-; `pp_path`: directory containing pseudopotential files
-;            has the same effect as `SPARC_PP_PATH`
-pp_path = ~/dev_SPARC/psps
+; `psp_path`: directory containing pseudopotential files
+;            has the same effect as `SPARC_PSP_PATH`
+psp_path = ~/dev_SPARC/psps
 
 ; `doc_path`: directory for SPARC LaTeX documentation
 ;             has the same effect as `SPARC_DOC_PATH`
@@ -60,7 +60,7 @@ The available options in the configuration file are:
    define a custom JSON schema file, or `doc_path` for parsing the
    LaTeX documentation on-the-fly. See [JSON schema
    configuration](#json-schema-setting) for more details.
-3. Pseudopotential settings (*Optional*): use `pp_path` for the
+3. Pseudopotential settings (*Optional*): use `psp_path` for the
    location of pseudopotential files. See [pseudopotential files settings](#pseudopot-setting)
    for more details.
 

sparc/io.py

@@ -190,7 +190,7 @@ def __find_psp_dir(self, psp_dir=None):
                     return Path(env_psp_dir)
             # Use pp_path field in cfg
             parser = self.cfg.parser["sparc"] if "sparc" in self.cfg.parser else {}
-            psp_dir_ini = parser.get("pp_path", None)
+            psp_dir_ini = parser.get("psp_path", None)
             if psp_dir_ini:
                 return sanitize_path(psp_dir_ini)
             # At this point, we try to use the psp files bundled with sparc