Searched defs:rdpath (Results 1 – 6 of 6) sorted by relevance
/dports/science/xtb/xtb-6.4.1/src/mctc/ |
H A D | systools.F90 | 61 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
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ |
H A D | TrajectoryTests.java | 170 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
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H A D | GraphMolTest.java | 61 String rdpath = System.getenv("RDBASE"); in getRdBase() local
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H A D | ChemSmartsTests.java | 46 String rdpath = System.getenv("RDBASE"); in setUp() local
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/md_xs/FEFF6L/ |
H A D | feff6Lib.f | 9074 logical done, pol 9172 10 continue 9179 20 continue 9194 22 continue 9201 23 continue 9205 24 continue 9210 25 continue 9214 26 continue 9307 100 continue 9314 150 continue [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/md_xs/FEFF6L/ |
H A D | feff6Lib.F | 9354 1 ihole, !(output only) 9384 10 continue 9391 20 continue 9406 22 continue 9413 23 continue 9417 24 continue 9422 25 continue 9426 26 continue 9519 100 continue 9526 150 continue [all …]
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