Commit 755fb2b6 authored by Mikkel Strange's avatar Mikkel Strange

cleanup and some examples

parent b18c7828
......@@ -10,15 +10,11 @@ short_names = {
'GGA.PW91': 'GGA_X_PW91+GGA_C_PW91',
'GGA.PBE': 'GGA_X_PBE+GGA_C_PBE',
'GGA.PBES': 'GGA_X_PBE_SOL+GGA_C_PBE_SOL',
'revPBE': 'GGA_X_PBE_R+GGA_C_PBE',
'GGA.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'}
......@@ -62,4 +58,5 @@ def get_libxc_xc_names(name):
if __name__ == '__main__':
print(get_libxc_xc_names('LDA.PZ'))
#print(get_libxc_name('GGA_X_PBE'))
print(get_libxc_xc_names('LDA_X'))
print(get_libxc_xc_names('GGA_X_PBE'))
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