conv internal xc names to libxc names

parser/parser-gpaw/libxc_names.py

+
+
+short_names = {
+        'LDA': 'LDA_X+LDA_C_PW',
+        'PW91': 'GGA_X_PW91+GGA_C_PW91',
+        'PBE': 'GGA_X_PBE+GGA_C_PBE',
+        'PBEsol': 'GGA_X_PBE_SOL+GGA_C_PBE_SOL',
+        'revPBE': 'GGA_X_PBE_R+GGA_C_PBE',
+        'RPBE': 'GGA_X_RPBE+GGA_C_PBE',
+        'BLYP': 'GGA_X_B88+GGA_C_LYP',
+        'HCTH407': 'GGA_XC_HCTH_407',
+        'WC': 'GGA_X_WC+GGA_C_PBE',
+        'AM05': 'GGA_X_AM05+GGA_C_AM05',
+        # 'M06-L': 'MGGA_X_M06_L+MGGA_C_M06_L',
+        # 'TPSS': 'MGGA_X_TPSS+MGGA_C_TPSS',
+        # 'revTPSS': 'MGGA_X_REVTPSS+MGGA_C_REVTPSS',
+        'mBEEF': 'MGGA_X_MBEEF+GGA_C_PBE_SOL'}
+
+
+def get_libxc_name(name):
+    if name in short_names:
+        libxc_name = short_names[name]
+    else:
+        libxc_name = name
+    return libxc_name
+
+if __name__ == '__main__':
+    print get_libxc_name('LDA')
+    print get_libxc_name('GGA_X_PBE')