AT_BANNER([MoleCuilder - Parser]) # 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-load-multiply.at]) m4_include([Parser/Mpqc/testsuite-parser-mpqc-save.at]) # set mpqc basis, theory and maxiter m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc.at]) m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-none.at]) m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-basis.at]) m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-maxiterations.at]) m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-theory.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-load-multiply.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-load-multiply.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]) # set psi3 wavefunction m4_include([Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-reference.at]) m4_include([Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-wavefunction.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]) m4_include([Parser/Pdb/testsuite-parser-pdb-load-various.at]) # parsing psi3 m4_include([Parser/Psi3/testsuite-parser-psi3-empty.at]) m4_include([Parser/Psi3/testsuite-parser-psi3-load.at]) m4_include([Parser/Psi3/testsuite-parser-psi3-load-multiply.at]) m4_include([Parser/Psi3/testsuite-parser-psi3-save.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-load-multiply.at]) m4_include([Parser/Tremolo/testsuite-parser-tremolo-save.at]) m4_include([Parser/Tremolo/testsuite-parser-tremolo-save-unique_usedfields.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]) # setting tremolo's atomdata line m4_include([Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at]) m4_include([Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-resetatomdata.at]) # writing and exttypes file m4_include([Parser/Tremolo-Exttypes/testsuite-parser-tremolo-save-selected-atoms-as-exttypes.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-load-multiply.at]) m4_include([Parser/Xyz/testsuite-parser-xyz-load-various.at]) m4_include([Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at]) m4_include([Parser/Xyz/testsuite-parser-xyz-save.at])