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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_felement(void)
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keyword = build_keyword("Full atom labels");
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nallatom = rd_nallatom();
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label = (char **)malloc(nallatom*sizeof(const char*));
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for(i=0; i < nallatom; i++)
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label[i] = (char *) malloc(MAX_ELEMNAME*sizeof(char));
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for(i=0; i < nallatom; i++)
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psio->read(PSIF_CHKPT, keyword, (char *) label[i],
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MAX_ELEMNAME*sizeof(char), ptr, &ptr);
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void Chkpt::wt_felement(char ** const label)
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keyword = build_keyword("Full atom labels");
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nallatom = rd_nallatom();
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for(i=0; i < nallatom; i++)
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psio->write(PSIF_CHKPT, keyword, (char *) label[i],
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MAX_ELEMNAME*sizeof(char), ptr, &ptr);
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** chkpt_rd_felement(): Reads in element labels including dummy atoms
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** takes no arguments.
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** returns: char **label element label matrix
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char **chkpt_rd_felement(void)
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return _default_chkpt_lib_->rd_felement();
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** chkpt_wt_felement(): Writes out element labels including dummy atoms
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** \param label = element label matrix.
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void chkpt_wt_felement(char ** const label)
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_default_chkpt_lib_->wt_felement(label);