Ecosyste.ms: Issues

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GitHub / devinamatthews/aquarius issues and pull requests

#26 - run python 2to3 to fix print syntax

Pull Request - State: open - Opened by jeffhammond 9 months ago

#26 - run python 2to3 to fix print syntax

Pull Request - State: open - Opened by jeffhammond 9 months ago

#25 - run Python 2to3 on test/water_clusters/make_input.py

Pull Request - State: closed - Opened by jeffhammond 9 months ago - 1 comment

#25 - run Python 2to3 on test/water_clusters/make_input.py

Pull Request - State: closed - Opened by jeffhammond 9 months ago - 1 comment

#24 - update configure

Pull Request - State: closed - Opened by jeffhammond almost 3 years ago - 3 comments

#24 - update configure

Pull Request - State: closed - Opened by jeffhammond almost 3 years ago - 3 comments

#23 - Code doesn't compile with GCC 9.2.1 or Intel 19

Issue - State: open - Opened by susilehtola almost 5 years ago - 8 comments

#22 - Use main CTF repository.

Pull Request - State: closed - Opened by susilehtola almost 5 years ago - 1 comment

#21 - Task type molecule not found

Issue - State: closed - Opened by keceli about 7 years ago - 14 comments

#20 - telescoping initial guesses for CC

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

#19 - segfault in symmetric code with C60

Issue - State: closed - Opened by jeffhammond almost 8 years ago - 6 comments

#18 - cross compilation does not work

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

#18 - cross compilation does not work

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

#17 - documentation

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

#16 - add latest Fortran MPI library name

Pull Request - State: closed - Opened by jeffhammond about 8 years ago - 5 comments

#16 - add latest Fortran MPI library name

Pull Request - State: closed - Opened by jeffhammond about 8 years ago - 5 comments

#15 - add mpifort to libs test

Pull Request - State: closed - Opened by jeffhammond over 8 years ago - 3 comments

#14 - linking to lgomp when compiling with Intel compilers

Issue - State: closed - Opened by solomonik over 8 years ago - 3 comments

#13 - CCSDT with CCSD subiterations

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

#13 - CCSDT with CCSD subiterations

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

#12 - separable benchmarking capability

Issue - State: open - Opened by solomonik almost 9 years ago - 7 comments
Labels: enhancement

#11 - aomoints memory usage

Issue - State: open - Opened by solomonik almost 9 years ago

#11 - aomoints memory usage

Issue - State: open - Opened by solomonik almost 9 years ago

#10 - flop counting in aomoints

Issue - State: open - Opened by solomonik almost 9 years ago

#9 - 1eints performance

Issue - State: closed - Opened by solomonik almost 9 years ago - 5 comments

#8 - how to use `basis.basis_set` to override default path for basis set?

Issue - State: open - Opened by jeffhammond about 9 years ago
Labels: question

#7 - CCSD guess for CCSDT

Issue - State: closed - Opened by jturney about 9 years ago - 2 comments

#6 - Elemental kiss_fft missing

Issue - State: closed - Opened by jeffhammond over 9 years ago - 2 comments

#5 - About integral package

Issue - State: open - Opened by sunqm over 9 years ago

#4 - fuse three OpenMP parallel regions into one

Pull Request - State: closed - Opened by jeffhammond over 9 years ago - 9 comments

#3 - Sam's recent changes

Pull Request - State: closed - Opened by samblau over 10 years ago

#2 - Making Sam branch of devinmatthews/aquarius

Pull Request - State: closed - Opened by samblau over 10 years ago

#1 - timer resolution too low?

Issue - State: closed - Opened by jeffhammond over 10 years ago - 8 comments