Ecosyste.ms: Issues

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GitHub / certik/dftatom issues and pull requests

#53 - Update LFortran to 0.43.0

Pull Request - State: closed - Opened by certik about 2 months ago

#52 - Implement `make quicktest` for quick testing

Pull Request - State: closed - Opened by certik 3 months ago

#51 - Coulomb benchmark

Pull Request - State: open - Opened by certik over 1 year ago - 1 comment

#50 - Upgrade LFortran to 0.29.0

Pull Request - State: closed - Opened by certik over 1 year ago

#49 - CI: Update LFortran to 0.28.0

Pull Request - State: closed - Opened by certik over 1 year ago

#48 - CI: test dftatom with LFortran

Pull Request - State: closed - Opened by certik over 1 year ago

#47 - Lf main

Pull Request - State: closed - Opened by certik over 1 year ago - 1 comment

#46 - Modernize CMake

Pull Request - State: closed - Opened by certik over 1 year ago

#45 - Lower SCF iterations and eigensolver accuracy

Pull Request - State: closed - Opened by certik over 1 year ago

#44 - Add Dirac DFT Uranium benchmark

Pull Request - State: closed - Opened by Thirumalai-Shaktivel over 1 year ago - 1 comment

#43 - CI: Simplify mamba handling

Pull Request - State: closed - Opened by certik over 1 year ago

#42 - Enable LFortran tests

Pull Request - State: closed - Opened by certik over 1 year ago

#41 - Run CI against the `lf` branch as well

Pull Request - State: closed - Opened by certik over 1 year ago

#40 - Use LFortran 0.23.0

Pull Request - State: closed - Opened by certik over 1 year ago

#39 - Build with LFortran

Pull Request - State: closed - Opened by certik over 1 year ago - 3 comments

#38 - CI: Run ctest

Pull Request - State: closed - Opened by certik over 1 year ago

#37 - Build with LFortran

Pull Request - State: closed - Opened by certik over 1 year ago - 1 comment

#36 - Test Lapack and Python

Pull Request - State: closed - Opened by certik over 1 year ago

#35 - ci: remove ":"

Pull Request - State: closed - Opened by certik over 1 year ago

#34 - Add GitHub CI

Pull Request - State: closed - Opened by certik over 1 year ago

#33 - Setup GitHub CI

Issue - State: closed - Opened by certik over 1 year ago

#32 - Remove unused function

Pull Request - State: closed - Opened by certik over 1 year ago - 1 comment

#31 - Add a work around for spread

Pull Request - State: closed - Opened by Thirumalai-Shaktivel over 1 year ago - 1 comment

#30 - Switch to pytest

Pull Request - State: closed - Opened by certik over 5 years ago - 3 comments

#29 - Travis: switch Python 3.7 and 2.7

Pull Request - State: closed - Opened by certik over 5 years ago

#28 - Python3 support

Pull Request - State: closed - Opened by rc over 5 years ago - 4 comments

#27 - Add CMAKE_WINDOWS_EXPORT_ALL_SYMBOLS=TRUE to CMake

Issue - State: open - Opened by certik over 5 years ago

#26 - CMake: use Release and install *.mod files

Pull Request - State: closed - Opened by certik over 5 years ago

#25 - Travis: pip does not have --use-mirrors anymore

Pull Request - State: closed - Opened by certik over 6 years ago

#24 - Write documentation for the atom_lda() subroutine

Pull Request - State: closed - Opened by certik over 6 years ago

#23 - Implement PBE XC functional

Issue - State: open - Opened by certik almost 8 years ago

#22 - Allow to interface the libxc library

Issue - State: open - Opened by certik almost 8 years ago

#21 - Simplify Poission solver

Pull Request - State: open - Opened by certik over 8 years ago

#20 - Simplify Poission solver

Pull Request - State: closed - Opened by certik over 8 years ago

#19 - Fix Compiler Warnings

Pull Request - State: closed - Opened by certik about 10 years ago - 2 comments

#18 - out of source build fails

Issue - State: closed - Opened by davydden about 10 years ago - 5 comments

#17 - Fix warnings in gcc 4.9.1

Issue - State: closed - Opened by certik about 10 years ago

#16 - CMake: Improve module finding

Issue - State: open - Opened by certik about 10 years ago

#15 - fails to build with gfortran 4.9.1

Issue - State: closed - Opened by davydden about 10 years ago - 6 comments

#14 - Refactor Lapack and LIBS

Pull Request - State: closed - Opened by certik almost 11 years ago

#13 - Refactor Travis tests, fix Lapack

Pull Request - State: closed - Opened by certik about 11 years ago

#12 - Fails to build with Lapack on

Issue - State: open - Opened by certik about 11 years ago

#11 - Remove unused import of "pi"

Pull Request - State: closed - Opened by certik about 11 years ago

#10 - Travis-CI: drop support for Python 2.5

Pull Request - State: closed - Opened by certik about 11 years ago

#9 - Fix a typo in a comment

Pull Request - State: closed - Opened by certik about 11 years ago

#8 - Expose P, Q in self-consistent DFT orbitals

Issue - State: open - Opened by certik over 11 years ago

#7 - Expose P, Q in orbitals

Issue - State: open - Opened by certik over 11 years ago

#6 - CMake: don't convert warnings to errors

Pull Request - State: closed - Opened by certik over 11 years ago

#5 - Expose P and Q from solve_radial_eigenproblem()

Pull Request - State: closed - Opened by certik over 11 years ago - 3 comments

#4 - Implement double minimum potential tests

Pull Request - State: closed - Opened by certik about 12 years ago

#3 - Clarify documentation of rpoisson_outward_pc()

Pull Request - State: closed - Opened by certik about 12 years ago

#2 - Fix the name of the tests

Pull Request - State: closed - Opened by certik over 12 years ago

#1 - Use newunit() from utils instead of F2008

Pull Request - State: closed - Opened by certik over 12 years ago