File: flags.h

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#ifndef _FLAGS_H_
#define _FLAGS_H_

#define h_IOPPAR_print		1 /* START IFLAGS */
#define h_IFLAGS_print		1

#define h_IOPPAR_calclevel	2
#define h_IFLAGS_calclevel	2
#define h_IOPPAR_calc		2 /* an alias */
#define h_IFLAGS_calc		2 /* an alias */

#define h_IOPPAR_deriv_lev	3
#define h_IFLAGS_deriv_lev	3

#define h_IOPPAR_cc_conv	4
#define h_IFLAGS_cc_conv	4

#define h_IOPPAR_scf_conv	5
#define h_IFLAGS_scf_conv	5

#define h_IOPPAR_xform_tol	6
#define h_IFLAGS_xform_tol	6

#define h_IOPPAR_cc_maxcyc	7
#define h_IFLAGS_cc_maxcyc	7

#define h_IOPPAR_lindep_tol	8
#define h_IFLAGS_lindep_tol	8

#define h_IOPPAR_rdo		9
#define h_IFLAGS_rdo		9

#define h_IOPPAR_scf_extrapo	10
#define h_IFLAGS_scf_extrapo	10
#define h_IOPPAR_scf_extrap	10 /* an alias */
#define h_IFLAGS_scf_extrap	10 /* an alias */

#define h_IOPPAR_reference	11
#define h_IFLAGS_reference	11
#define h_IOPPAR_ref		11 /* an alias */
#define h_IFLAGS_ref		11 /* an alias */

#define h_IOPPAR_cc_exporder	12
#define h_IFLAGS_cc_exporder	12

#define h_IOPPAR_tamp_sum	13
#define h_IFLAGS_tamp_sum	13

#define h_IOPPAR_ntop_tamp	14
#define h_IFLAGS_ntop_tamp	14

#define h_IOPPAR_dampscf	15
#define h_IFLAGS_dampscf	15

#define h_IOPPAR_scf_maxcyc	16
#define h_IFLAGS_scf_maxcyc	16

#define h_IOPPAR_occupation	17
#define h_IFLAGS_occupation	17
#define h_IOPPAR_occ		17 /* an alias */
#define h_IFLAGS_occ		17 /* an alias */

#define h_IOPPAR_props		18
#define h_IFLAGS_props		18

#define h_IOPPAR_density	19
#define h_IFLAGS_density	19

#define h_IOPPAR_scf_exporde	20
#define h_IFLAGS_scf_exporde	20

#define h_IOPPAR_cc_extrapol	21
#define h_IFLAGS_cc_extrapol	21
#define h_IOPPAR_cc_extrap	21 /* an alias */
#define h_IFLAGS_cc_extrap	21 /* an alias */

#define h_IOPPAR_brueckner	22
#define h_IFLAGS_brueckner	22

#define h_IOPPAR_xfield		23
#define h_IFLAGS_xfield		23

#define h_IOPPAR_yfield		24
#define h_IFLAGS_yfield		24

#define h_IOPPAR_zfield		25
#define h_IFLAGS_zfield		25

#define h_IOPPAR_save_ints	26
#define h_IFLAGS_save_ints	26

#define h_IOPPAR_dropmo		27
#define h_IFLAGS_dropmo		27

#define h_IOPPAR_charge		28
#define h_IFLAGS_charge		28

#define h_IOPPAR_multiplicty	29
#define h_IFLAGS_multiplicty	29
#define h_IOPPAR_mult		29 /* an alias */
#define h_IFLAGS_mult		29 /* an alias */

#define h_IOPPAR_cphf_conver	30
#define h_IFLAGS_cphf_conver	30

#define h_IOPPAR_cphf_maxcyc	31
#define h_IFLAGS_cphf_maxcyc	31

#define h_IOPPAR_qrhf_orbita	34
#define h_IFLAGS_qrhf_orbita	34
#define h_IOPPAR_qrhf_orb	34 /* an alias */
#define h_IFLAGS_qrhf_orb	34 /* an alias */

#define h_IOPPAR_incore		35
#define h_IFLAGS_incore		35

#define h_IOPPAR_memory_size	36
#define h_IFLAGS_memory_size	36
#define h_IOPPAR_mem		36 /* an alias */
#define h_IFLAGS_mem		36 /* an alias */

#define h_IOPPAR_file_recsiz	37
#define h_IFLAGS_file_recsiz	37

#define h_IOPPAR_nonhf		38 /* missing hyphen (non-hf) on purpose */
#define h_IFLAGS_nonhf		38 /* missing hyphen (non-hf) on purpose */

#define h_IOPPAR_orbitals	39
#define h_IFLAGS_orbitals	39

#define h_IOPPAR_scf_expstar	40
#define h_IFLAGS_scf_expstar	40

#define h_IOPPAR_lock_orbocc	41
#define h_IFLAGS_lock_orbocc	41

#define h_IOPPAR_file_stripe	42
#define h_IFLAGS_file_stripe	42

#define h_IOPPAR_hbar		43
#define h_IFLAGS_hbar		43

#define h_IOPPAR_cache_recs	44
#define h_IFLAGS_cache_recs	44

#define h_IOPPAR_guess		45
#define h_IFLAGS_guess		45

#define h_IOPPAR_joda_print	46
#define h_IFLAGS_joda_print	46

#define h_IOPPAR_opt_method	47
#define h_IFLAGS_opt_method	47

#define h_IOPPAR_convergence	48
#define h_IFLAGS_convergence	48

#define h_IOPPAR_eigenvector	49
#define h_IFLAGS_eigenvector	49

#define h_IOPPAR_negeval	50
#define h_IFLAGS_negeval	50

#define h_IOPPAR_curvilinear	51
#define h_IFLAGS_curvilinear	51

#define h_IOPPAR_stp_siz_ctl	52
#define h_IFLAGS_stp_siz_ctl	52

#define h_IOPPAR_max_step	53
#define h_IFLAGS_max_step	53

#define h_IOPPAR_vibration	54
#define h_IFLAGS_vibration	54
#define h_IOPPAR_vib		54 /* an alias */
#define h_IFLAGS_vib		54 /* an alias */

#define h_IOPPAR_eval_hess	55
#define h_IFLAGS_eval_hess	55

#define h_IOPPAR_integrals	56
#define h_IFLAGS_integrals	56

#define h_IOPPAR_fd_stepsize	57
#define h_IFLAGS_fd_stepsize	57

#define h_IOPPAR_points		58
#define h_IFLAGS_points		58

#define h_IOPPAR_contraction	59
#define h_IFLAGS_contraction	59

#define h_IOPPAR_symmetry	60
#define h_IFLAGS_symmetry	60
#define h_IOPPAR_sym		60 /* an alias */
#define h_IFLAGS_sym		60 /* an alias */

#define h_IOPPAR_basis		61
#define h_IFLAGS_basis		61

#define h_IOPPAR_spherical	62
#define h_IFLAGS_spherical	62

#define h_IOPPAR_reset_flags	63
#define h_IFLAGS_reset_flags	63

#define h_IOPPAR_pert_orb	64
#define h_IFLAGS_pert_orb	64

#define h_IOPPAR_genbas_1	65
#define h_IFLAGS_genbas_1	65

#define h_IOPPAR_genbas_2	66
#define h_IFLAGS_genbas_2	66

#define h_IOPPAR_genbas_3	67
#define h_IFLAGS_genbas_3	67

#define h_IOPPAR_coordinates	68
#define h_IFLAGS_coordinates	68
#define h_IOPPAR_coord		68 /* an alias */
#define h_IFLAGS_coord		68 /* an alias */

#define h_IOPPAR_check_sym	69
#define h_IFLAGS_check_sym	69

#define h_IOPPAR_scf_print	70
#define h_IFLAGS_scf_print	70

#define h_IOPPAR_ecp		71
#define h_IFLAGS_ecp		71

#define h_IOPPAR_restart	72
#define h_IFLAGS_restart	72

#define h_IOPPAR_trans_inv	73
#define h_IFLAGS_trans_inv	73

#define h_IOPPAR_hfstability	74
#define h_IFLAGS_hfstability	74
#define h_IOPPAR_hfstab		74 /* an alias */
#define h_IFLAGS_hfstab		74 /* an alias */

#define h_IOPPAR_rot_evec	75
#define h_IFLAGS_rot_evec	75

#define h_IOPPAR_bruck_conv	76
#define h_IFLAGS_bruck_conv	76

#define h_IOPPAR_qrhf_genera	77
#define h_IFLAGS_qrhf_genera	77
#define h_IOPPAR_qrhf_gen	77 /* an alias */
#define h_IFLAGS_qrhf_gen	77 /* an alias */

#define h_IOPPAR_units		78
#define h_IFLAGS_units		78

#define h_IOPPAR_fd_usegroup	79
#define h_IFLAGS_fd_usegroup	79

#define h_IOPPAR_fd_project	80
#define h_IFLAGS_fd_project	80

#define h_IOPPAR_fd_irreps	82
#define h_IFLAGS_fd_irreps	82

#define h_IOPPAR_vtran		83
#define h_IFLAGS_vtran		83

#define h_IOPPAR_hf2_file	84
#define h_IFLAGS_hf2_file	84

#define h_IOPPAR_subgroup	85
#define h_IFLAGS_subgroup	85

#define h_IOPPAR_subgrpaxis	86
#define h_IFLAGS_subgrpaxis	86

#define h_IOPPAR_excite		87
#define h_IFLAGS_excite		87

#define h_IOPPAR_zeta_conv	88
#define h_IFLAGS_zeta_conv	88

#define h_IOPPAR_estate_sym	89
#define h_IFLAGS_estate_sym	89

#define h_IOPPAR_treat_pert	90
#define h_IFLAGS_treat_pert	90

#define h_IOPPAR_estate_prop	91
#define h_IFLAGS_estate_prop	91

#define h_IOPPAR_opt_maxcyc	92
#define h_IFLAGS_opt_maxcyc	92

#define h_IOPPAR_abcdtype	93
#define h_IFLAGS_abcdtype	93

#define h_IOPPAR_qrhf_spin	94
#define h_IFLAGS_qrhf_spin	94

#define h_IOPPAR_ao_ladders	95
#define h_IFLAGS_ao_ladders	95

#define h_IOPPAR_fock		96
#define h_IFLAGS_fock		96

#define h_IOPPAR_estate_maxc	97
#define h_IFLAGS_estate_maxc	97

#define h_IOPPAR_estate_tol	98
#define h_IFLAGS_estate_tol	98

#define h_IOPPAR_turbomole	99
#define h_IFLAGS_turbomole	99

#define h_IOPPAR_gamma_abcd	100
#define h_IFLAGS_gamma_abcd	100

#define h_IOPPAR_zeta_type	101 /* START IFLAGS2 */
#define h_IFLAGS2_zeta_type	1

#define h_IOPPAR_zeta_maxcyc	102
#define h_IFLAGS2_zeta_maxcyc	2

#define h_IOPPAR_resraman	103
#define h_IFLAGS2_resraman	3

#define h_IOPPAR_psi		104
#define h_IFLAGS2_psi		4

#define h_IOPPAR_geom_opt	105
#define h_IFLAGS2_geom_opt	5

#define h_IOPPAR_external	106
#define h_IFLAGS2_external	6

#define h_IOPPAR_hess_update	107
#define h_IFLAGS2_hess_update	7

#define h_IOPPAR_init_hessian	108
#define h_IFLAGS2_init_hessian	8

#define h_IOPPAR_extrap		109
#define h_IFLAGS2_extrap	9

#define h_IOPPAR_ea_calc	201
#define h_IFLAGS2_ea_calc	101

#define h_IOPPAR_ea_sym		202
#define h_IFLAGS2_ea_sym	102

#define h_IOPPAR_tdhf		203
#define h_IFLAGS2_tdhf		103

#define h_IOPPAR_functional	204
#define h_IFLAGS2_functional	104

#define h_IOPPAR_eom_maxcyc	205
#define h_IFLAGS2_eom_maxcyc	105

#define h_IOPPAR_eomprop	206
#define h_IFLAGS2_eomprop	106

#define h_IOPPAR_abcdfull	207
#define h_IFLAGS2_abcdfull	107

#define h_IOPPAR_intgrl_tol	208
#define h_IFLAGS2_intgrl_tol	108

#define h_IOPPAR_damp_typ	209
#define h_IFLAGS2_damp_typ	109

#define h_IOPPAR_damp_tol	210
#define h_IFLAGS2_damp_tol	110

#define h_IOPPAR_lshf_a1	211
#define h_IFLAGS2_lshf_a1	111

#define h_IOPPAR_lshf_b1	212
#define h_IFLAGS2_lshf_b1	112

#define h_IOPPAR_polyrate	213
#define h_IFLAGS2_polyrate	113

#define h_IOPPAR_ip_calc	214
#define h_IFLAGS2_ip_calc	114

#define h_IOPPAR_ip_sym		215
#define h_IFLAGS2_ip_sym	115

#define h_IOPPAR_ip_search	216
#define h_IFLAGS2_ip_search	116

#define h_IOPPAR_eomref		217
#define h_IFLAGS2_eomref	117

#define h_IOPPAR_solvent	218
#define h_IFLAGS2_solvent	118

#define h_IOPPAR_ee_search	219
#define h_IFLAGS2_ee_search	119

#define h_IOPPAR_eom_prjct	220
#define h_IFLAGS2_eom_prjct	120

#define h_IOPPAR_newvrt		221
#define h_IFLAGS2_newvrt	121

#define h_IOPPAR_hbarabcd	222
#define h_IFLAGS2_hbarabcd	122

#define h_IOPPAR_hbarabci	223
#define h_IFLAGS2_hbarabci	123

#define h_IOPPAR_nt3eomee	224
#define h_IFLAGS2_nt3eomee	124

#define h_IOPPAR_noreori	225
#define h_IFLAGS2_noreori	125

#define h_IOPPAR_ee_sym		226
#define h_IFLAGS2_ee_sym	126

#define h_IOPPAR_ks_pot		227
#define h_IFLAGS2_ks_pot	127

#define h_IOPPAR_dip_calc	228
#define h_IFLAGS2_dip_calc	128

#define h_IOPPAR_dip_sym	229
#define h_IFLAGS2_dip_sym	129

#define h_IOPPAR_dea_calc	230
#define h_IFLAGS2_dea_calc	130

#define h_IOPPAR_dea_sym	231
#define h_IFLAGS2_dea_sym	131

#define h_IOPPAR_program	232
#define h_IFLAGS2_program	132

#define h_IOPPAR_ccr12		233
#define h_IFLAGS2_ccr12		133

#define h_IOPPAR_eomxfield	234
#define h_IFLAGS2_eomxfield	134

#define h_IOPPAR_eomyfield	235
#define h_IFLAGS2_eomyfield	135

#define h_IOPPAR_eomzfield	236
#define h_IFLAGS2_eomzfield	136

#define h_IOPPAR_insertf	237
#define h_IFLAGS2_insertf	137

#define h_IOPPAR_grad_calc	238
#define h_IFLAGS2_grad_calc	138

#define h_IOPPAR_imem_size	239
#define h_IFLAGS2_imem_size	139
#define h_IOPPAR_imem		239 /* an alias */
#define h_IFLAGS2_imem		139 /* an alias */

#define h_IOPPAR_makerhf	240
#define h_IFLAGS2_makerhf	140

#define h_IOPPAR_global_mem	241
#define h_IFLAGS2_global_mem	141

#define h_IOPPAR_prp_ints	242
#define h_IFLAGS2_prp_ints	142

#define h_IOPPAR_trunc_orbs	243 /* previously fno_keep */
#define h_IFLAGS2_trunc_orbs	143

#define h_IOPPAR_fno_keep	244 /* previously fno_post */
#define h_IFLAGS2_fno_keep	144

#define h_IOPPAR_fno_bsse	245 /* previously fno_active */
#define h_IFLAGS2_fno_bsse	145

#define h_IOPPAR_natural	246
#define h_IFLAGS2_natural	146

#define h_IOPPAR_acc_sym	247
#define h_IFLAGS2_acc_sym	147

#define h_IOPPAR_uno_ref	248
#define h_IFLAGS2_uno_ref	148

#define h_IOPPAR_uno_charge	249
#define h_IFLAGS2_uno_charge	149

#define h_IOPPAR_uno_mult	250
#define h_IFLAGS2_uno_mult	150

#define h_IOPPAR_raman		251
#define h_IFLAGS2_raman		151

#define h_IOPPAR_kucharski	252
#define h_IFLAGS2_kucharski	152

#define h_IOPPAR_scf_type	253
#define h_IFLAGS2_scf_type	153

#define h_IOPPAR_direct		254
#define h_IFLAGS2_direct	154

#define h_IOPPAR_single_store	255
#define h_IFLAGS2_single_store	155

#endif /* _FLAGS_H_ */