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False highlighting for parameters for BASIS_SET/POTENTIAL/COORD_FILE_NAME/... #1

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dev-zero opened this issue Aug 11, 2015 · 3 comments

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@dev-zero
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When specifying the basis set, potential or coordination file name the parameters seem to get parsed instead of being interpreted as simple strings:
parameters

@vondele
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vondele commented Aug 18, 2015

To get proper highlighting you can write e.g.
COORD_FILE_NAME "./struc.xyz"
BASIS_SET "TZV2P-GTH"
that is, give string parameters explicit quotes.

@dev-zero
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I thought so too, but I get:

 *************************************************************
 *** ERROR in read_gto_basis_set1 (MODULE basis_set_types) ***
 *************************************************************

 *** The requested basis set <"TZV2P-GTH"> for element <S> was not found ***
 *** in the basis set files <./GTH_BASIS_SETS>                           ***

 *** Program stopped at line number 1453 of MODULE basis_set_types ***

when I write

    &KIND S
      BASIS_SET "TZV2P-GTH"
      POTENTIAL "GTH-PBE"
    &END KIND

instead of

    &KIND S
      BASIS_SET TZV2P-GTH
      POTENTIAL GTH-PBE
    &END KIND

and for filenames I get:

 ********************************************
 *** ERROR in open_file (MODULE cp_files) ***
 ********************************************

 *** The specified OLD file <"./GTH_BASIS_SETS"> cannot be opened. It does ***
 *** not exist. Data directory path: /my/path/data    ***

 *** Program stopped at line number 401 of MODULE cp_files ***

@vondele
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vondele commented Aug 18, 2015

indeed, strange, I was under the impression that this was working. Could be a feature.

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