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Searched defs:rdpath (Results 1 – 6 of 6) sorted by relevance

/dports/science/xtb/xtb-6.4.1/src/mctc/
H A Dsystools.F9061 subroutine rdpath(path,arg,fname,ex) subroutine
63 character(len=*),intent(in) :: arg
64 character(len=*),intent(in) :: path
65 character(len=:),allocatable,intent(out) :: fname
66 logical,intent(out),optional :: ex
69 character(len=:),allocatable :: scratch1
70 character(len=:),allocatable :: scratch2
71 character(len=:),allocatable :: fpath
72 logical :: exist
96 end subroutine rdpath argument
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/
H A DTrajectoryTests.java170 String rdpath = System.getenv("RDBASE"); in testReadAmber() local
228 String rdpath = System.getenv("RDBASE"); in testReadAmberJava() local
317 String rdpath = System.getenv("RDBASE"); in testReadGromos() local
526 String rdpath = System.getenv("RDBASE"); in testAddConformersFromTrajectory() local
567 String rdpath = System.getenv("RDBASE"); in testAddConformersFromAmberTrajectory() local
616 String rdpath = System.getenv("RDBASE"); in testAddConformersFromGromosTrajectory() local
H A DGraphMolTest.java61 String rdpath = System.getenv("RDBASE"); in getRdBase() local
H A DChemSmartsTests.java46 String rdpath = System.getenv("RDBASE"); in setUp() local
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/md_xs/FEFF6L/
H A Dfeff6Lib.f9074 logical done, pol
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/md_xs/FEFF6L/
H A Dfeff6Lib.F9354 1 ihole, !(output only)
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