AT_BANNER([MoleCuilder - Parser]) # set MPQC basis, theory and maxiter m4_include([Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at]) m4_include([Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-basis.at]) m4_include([Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-maxiterations.at]) m4_include([Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-theory.at]) # parsing mpqc m4_include([Parser/Mpqc/testsuite-parser-mpqc-empty.at]) m4_include([Parser/Mpqc/testsuite-parser-mpqc-load.at]) m4_include([Parser/Mpqc/testsuite-parser-mpqc-save.at]) # parsing pcp m4_include([Parser/Pcp/testsuite-parser-pcp-empty.at]) m4_include([Parser/Pcp/testsuite-parser-pcp-load.at]) m4_include([Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at]) m4_include([Parser/Pcp/testsuite-parser-pcp-save.at]) # parsing pdb m4_include([Parser/Pdb/testsuite-parser-pdb-empty.at]) m4_include([Parser/Pdb/testsuite-parser-pdb-load.at]) m4_include([Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at]) m4_include([Parser/Pdb/testsuite-parser-pdb-save.at]) m4_include([Parser/Pdb/testsuite-parser-pdb-with-conects.at]) # bugfix checks m4_include([Parser/Pdb/testsuite-parser-pdb-capital_letters_element.at]) m4_include([Parser/Pdb/testsuite-parser-pdb-CONECTs_empty_space.at]) # parsing tremolo m4_include([Parser/Tremolo/testsuite-parser-tremolo-empty.at]) m4_include([Parser/Tremolo/testsuite-parser-tremolo-load.at]) m4_include([Parser/Tremolo/testsuite-parser-tremolo-save.at]) # parsing tremolo with .potentials m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at]) m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at]) m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at]) # parsing xyz m4_include([Parser/Xyz/testsuite-parser-xyz-empty.at]) m4_include([Parser/Xyz/testsuite-parser-xyz-load.at]) m4_include([Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at]) m4_include([Parser/Xyz/testsuite-parser-xyz-save.at])