Split bases (#84)

* starts splitting basis sets

* getting there

* backup

* revert

* mirror CI instructions for testing

* backup

* adds changes

* shorten number to download

* makes sto-3g consistent with new layout

* Committing clang-format changes

---------

Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>

.gitignore

@@ -45,3 +45,7 @@ install/
 
 # Users commonly store their specific CMake settings in a toolchain file
 toolchain.cmake
+
+# Recommended directory for downloading basis sets
+reference_data/basis_sets
+!reference_data/basis_set/defaults

experimental/src/chemcache/atomic_densities/atomic_densities.hpp

@@ -15,9 +15,9 @@
  */
 
 /*
- * This file is autogenerated by: generate_densities.py
- *
- * NOTE: Any modifications made in this file will be lost next time
+ * This file is autogenerated by: generate_densities.py 
+ * 
+ * NOTE: Any modifications made in this file will be lost next time 
  *       generate_densities.py is run.
  */
 
@@ -27,17 +27,32 @@
 namespace chemcache {
 
 // Module declarations will go here
+DECLARE_MODULE(three_dash_21g_atom_dm);
+DECLARE_MODULE(six_dash_31g_atom_dm);
+DECLARE_MODULE(six_dash_31g_star_atom_dm);
+DECLARE_MODULE(aug_dash_cc_dash_pvtz_atom_dm);
+DECLARE_MODULE(mini_atom_dm);
 DECLARE_MODULE(sto_dash_3g_atom_dm);
 
 namespace atom_dm_mods {
 
 inline void set_defaults(pluginplay::ModuleManager& mm) {
     // Default submodules within this subcollection will be set here
+    mm.change_submod("3-21g atomic dm", "AO Basis", "3-21g atomic basis");
+    mm.change_submod("6-31g atomic dm", "AO Basis", "6-31g atomic basis");
+    mm.change_submod("6-31g* atomic dm", "AO Basis", "6-31g* atomic basis");
+    mm.change_submod("aug-cc-pvtz atomic dm", "AO Basis", "aug-cc-pvtz atomic basis");
+    mm.change_submod("mini atomic dm", "AO Basis", "mini atomic basis");
     mm.change_submod("sto-3g atomic dm", "AO Basis", "sto-3g atomic basis");
 }
 
 inline void load_modules(pluginplay::ModuleManager& mm) {
     // Modules will be added to the ModuleManager here
+    mm.add_module<three_dash_21g_atom_dm>("3-21g atomic dm");
+    mm.add_module<six_dash_31g_atom_dm>("6-31g atomic dm");
+    mm.add_module<six_dash_31g_star_atom_dm>("6-31g* atomic dm");
+    mm.add_module<aug_dash_cc_dash_pvtz_atom_dm>("aug-cc-pvtz atomic dm");
+    mm.add_module<mini_atom_dm>("mini atomic dm");
     mm.add_module<sto_dash_3g_atom_dm>("sto-3g atomic dm");
 
     set_defaults(mm);