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#include <libpsio/psio.hpp>
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#include <libchkpt/chkpt.h>
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#include <libchkpt/chkpt.hpp>
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char **Chkpt::rd_irr_labs(void)
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keyword = build_keyword("Irrep labels");
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nirreps = rd_nirreps();
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irr_labs = (char **)malloc(sizeof(char *)*nirreps);
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for(i=0;i<nirreps;i++) {
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irr_labs[i] = (char *) malloc(4*sizeof(char));
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psio->read(PSIF_CHKPT, keyword, (char *) irr_labs[i],
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4*sizeof(char), ptr, &ptr);
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irr_labs[i][3] = '\0';
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void Chkpt::wt_irr_labs(char **irr_labs)
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keyword = build_keyword("Irrep labels");
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nirreps = rd_nirreps();
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for(i=0;i<nirreps;i++) {
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psio->write(PSIF_CHKPT, keyword, (char *) irr_labs[i],
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4*sizeof(char), ptr, &ptr);
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** chkpt_rd_irr_labs(): Read in the symmetry labels for all irreps in the
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** point group in which the molecule is considered.
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** takes no arguments.
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** returns: irr_labs = an array of labels (strings) which denote
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** the irreps for the point group in which the molecule is considered,
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** _regardless_ of whether there exist any symmetry orbitals which
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** transform as that irrep.
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char **chkpt_rd_irr_labs(void)
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return _default_chkpt_lib_->rd_irr_labs();
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** chkpt_wt_irr_labs(): Write out the symmetry labels for all irreps in the
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** point group in which the molecule is considered.
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** \param irr_labs = an array of labels (strings) which denote
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** the irreps for the point group in which the molecule is considered,
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** _regardless_ of whether there exist any symmetry orbitals which
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** transform as that irrep.
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void chkpt_wt_irr_labs(char **irr_labs)
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_default_chkpt_lib_->wt_irr_labs(irr_labs);