(#254) Basis Module - Module creation and subroutines.

First PR regarding basis sets module. This PR contains mainly initialization and basis set reading subroutines. There is a hardcoded maximum readable contractions number of 50 (per atom).
MALBECC · Oct 30, 2018 · 7a7b203 · 7a7b203
1 parent b3f954e
commit 7a7b203
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diff --git a/lioamber/Makefile.depends b/lioamber/Makefile.depends
@@ -180,13 +180,9 @@ $(tmplist:%.o=$(OBJPATH)/%.o) : $(OBJPATH)/debug_tools.mod
 
 ################################################################################
 OBJECTS += basis_data.o
-OBJECTS += basis_subs.o
 
 tmplist :=
-tmplist += ehrensubs.o init_lio.o
-$(tmplist:%.o=$(OBJPATH)/%.o) : $(OBJPATH)/basis_subs.mod
-
-tmplist := basis_subs.o
+tmplist += ehrensubs.o init_lio.o lio_finalize.o
 $(tmplist:%.o=$(OBJPATH)/%.o) : $(OBJPATH)/basis_data.mod
 
 
@@ -385,7 +381,7 @@ SRCDIRS += maskrmm
 OBJECTS += maskrmm.o
 
 tmplist :=
-tmplist += ehrensubs.o basis_subs.o
+tmplist += ehrensubs.o
 $(tmplist:%.o=$(OBJPATH)/%.o) : $(OBJPATH)/maskrmm.mod
 
 #

diff --git a/lioamber/basis_data.f90 b/lioamber/basis_data.f90
diff --git a/lioamber/basis_subs.f90 b/lioamber/basis_subs.f90