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testsuite-parser.at@ 13510b

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Last change on this file since 13510b was 13510b, checked in by Frederik Heber <heber@…>, 13 years ago
Added regression test for setting Psi3Parser parameter reference.
Property mode set to `100644`
File size: 2.6 KB

Rev	Line
[f2230e]	1	AT_BANNER([MoleCuilder - Parser])
	2
	3
	4	# parsing mpqc
[520f93]	5	m4_include([Parser/Mpqc/testsuite-parser-mpqc-empty.at])
	6	m4_include([Parser/Mpqc/testsuite-parser-mpqc-load.at])
	7	m4_include([Parser/Mpqc/testsuite-parser-mpqc-save.at])
[f2230e]	8
[41d023]	9	# set mpqc basis, theory and maxiter
	10	m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc.at])
	11	m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-basis.at])
	12	m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-maxiterations.at])
	13	m4_include([Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-theory.at])
	14
[f2230e]	15	# parsing pcp
[520f93]	16	m4_include([Parser/Pcp/testsuite-parser-pcp-empty.at])
	17	m4_include([Parser/Pcp/testsuite-parser-pcp-load.at])
[e69c87]	18	m4_include([Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at])
[520f93]	19	m4_include([Parser/Pcp/testsuite-parser-pcp-save.at])
[f2230e]	20
	21	# parsing pdb
[520f93]	22	m4_include([Parser/Pdb/testsuite-parser-pdb-empty.at])
	23	m4_include([Parser/Pdb/testsuite-parser-pdb-load.at])
[e69c87]	24	m4_include([Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at])
[520f93]	25	m4_include([Parser/Pdb/testsuite-parser-pdb-save.at])
[e69c87]	26	m4_include([Parser/Pdb/testsuite-parser-pdb-with-conects.at])
[5fa2ba]	27
[41d023]	28	# set psi3 wavefunction
[13510b]	29	m4_include([Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-reference.at])
[41d023]	30	m4_include([Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-wavefunction.at])
	31
[473237]	32	# bugfix checks
[8990879]	33	m4_include([Parser/Pdb/testsuite-parser-pdb-capital_letters_element.at])
[473237]	34	m4_include([Parser/Pdb/testsuite-parser-pdb-CONECTs_empty_space.at])
[5fa2ba]	35	m4_include([Parser/Pdb/testsuite-parser-pdb-load-various.at])
[f2230e]	36
[752bb4]	37	# parsing mpqc
	38	m4_include([Parser/Psi3/testsuite-parser-psi3-empty.at])
	39	m4_include([Parser/Psi3/testsuite-parser-psi3-load.at])
	40	m4_include([Parser/Psi3/testsuite-parser-psi3-save.at])
	41
[f2230e]	42	# parsing tremolo
[520f93]	43	m4_include([Parser/Tremolo/testsuite-parser-tremolo-empty.at])
	44	m4_include([Parser/Tremolo/testsuite-parser-tremolo-load.at])
	45	m4_include([Parser/Tremolo/testsuite-parser-tremolo-save.at])
[f2230e]	46
[4217e7]	47	# parsing tremolo with .potentials
	48	m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at])
[520f93]	49	m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at])
	50	m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at])
[4217e7]	51
[81c980b]	52	# setting tremolo's atomdata line
	53	m4_include([Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at])
	54
[f2230e]	55	# parsing xyz
[520f93]	56	m4_include([Parser/Xyz/testsuite-parser-xyz-empty.at])
	57	m4_include([Parser/Xyz/testsuite-parser-xyz-load.at])
[e69c87]	58	m4_include([Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at])
[520f93]	59	m4_include([Parser/Xyz/testsuite-parser-xyz-save.at])
[f2230e]	60

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