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new file: b/BerkeleyGW/BerkeleyGW-2.1.0-intel-2020b-Python-3.8.6.eb new file: b/BerkeleyGW/BerkeleyGW-2.1.0_missing_file.patch new file: b/BerkeleyGW/BerkeleyGW-2.1.0_tests.patch new file: d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6.eb new file: d/DFTB+/config.cmake-MANUAL-INSTALATION.patch new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-10.2.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2_fix-extras-syntax.patch new file: e/ELPA/ELPA-2019.11.001-intel-2020b.eb new file: h/HDF5/HDF5-1.10.6-iimpi-2020b.eb new file: h/h5py/h5py-2.10.0-intel-2020b-Python-3.8.6.eb new file: h/hypothesis/hypothesis-6.13.1-GCC-10.2.0.eb new file: i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb new file: i/intel-compilers/intel-compilers-2021.2.0.eb new file: n/Newton-X/Newton-X-2.2-B09-intel-2020b.eb new file: n/Newton-X/newton-x-2.2.patch new file: p/pkgconfig/pkgconfig-1.5.1-GCCcore-10.2.0-python.eb new file: p/pybind11/pybind11-2.4.3-GCC-10.2.0-Python-3.8.6.eb new file: p/pybind11/pybind11-2.6.0-GCC-10.2.0-Python-3.8.6.eb new file: s/Schrodinger/Schrodinger_2021-2_Linux-x86_64.eb new file: s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020b-Python-3.8.6.eb new file: s/SciPy-bundle/SciPy-bundle-2021.05-intel-2020b.eb
23 lines
735 B
Diff
23 lines
735 B
Diff
Fix syntax of extras.f90
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Author: Alex Domingo (Vrije Universiteit Brussel)
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--- prg/extras.f90.orig 2020-04-07 15:53:37.579346000 +0200
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+++ prg/extras.f90 2020-04-07 15:53:47.270025090 +0200
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@@ -285,7 +285,7 @@
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close(11)
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write(*,*) 'checksum (Edisp) ',check
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- if (abs(check-etot).gt.1.d-3)stop'something is weired in adisp'
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+ if (abs(check-etot).gt.1.d-3) stop 'something is weired in adisp'
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inquire(file='fragment',exist=ex)
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if (.not.ex) return
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@@ -1746,7 +1746,7 @@
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close(11)
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write(*,*) 'checksum (Edisp) ',check
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- if (abs(check-etot).gt.1.d-3)stop'something is weired in adisp'
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+ if (abs(check-etot).gt.1.d-3) stop 'something is weired in adisp'
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deallocate(dist,li)
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return
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