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tutorials
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Updates for output level zero
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2022-09-19 16:22:36 +01:00 |
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MDPlot.png
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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Makefile
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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README.md
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Tidying output in general (time, date, electrons)
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2022-09-19 16:22:36 +01:00 |
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ase-conquest.rst
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a few modifications on headings (2)
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2023-08-01 16:28:29 +02:00 |
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basissets.rst
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Add overview of PAO generation procedure
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2022-12-15 15:56:53 +09:00 |
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compare.jpg
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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conf.py
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Updated version numbers
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2024-12-13 15:45:33 +00:00 |
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convergence.rst
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Added grid spacing option to input
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2024-09-19 13:32:22 +01:00 |
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elec_struc.rst
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Polishing manual entry for polarisation
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2023-06-23 08:28:52 +01:00 |
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errors.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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examples.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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ext-tools.rst
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added documentation for ASE+CONQUEST
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2023-08-01 16:08:44 +02:00 |
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faq.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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generating_paos.rst
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Add overview of PAO generation procedure
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2022-12-15 15:56:53 +09:00 |
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groundstate.rst
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Added k-point spacing parameter
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2024-09-19 13:50:59 +01:00 |
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index.rst
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Add documentation on energy, forces and stresses
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2023-08-02 12:20:37 +01:00 |
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input-output.rst
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Added grid spacing option to input
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2024-09-19 13:32:22 +01:00 |
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input_tags.rst
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changed the default value of BlockSizeR from 30 to 32
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2024-12-18 11:45:49 +09:00 |
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installing.rst
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Add system.ubuntu.make. Order of parameters in makefile in documentation now consistent with the most recent exmample files.
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2024-09-04 23:46:06 +09:00 |
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moldyn.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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post-proc.rst
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Added documentation
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2023-06-30 14:14:33 +01:00 |
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quick-overview.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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rdf.jpg
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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references.bib
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start docs on EXX
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2024-11-27 17:10:19 +01:00 |
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requirements.txt
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On-going updates to output reworking (cg, sqnm, md)
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2022-09-23 13:34:37 +01:00 |
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stats.jpg
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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strucrelax.rst
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Updates to cell optimisation
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2023-01-11 14:59:18 +00:00 |
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theory-md.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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theory-strucrelax.rst
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Relocate all documentation files into docs/
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2020-02-27 08:32:53 +00:00 |
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theory_energy_force_stress.rst
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Add documentation on energy, forces and stresses
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2023-08-02 12:20:37 +01:00 |
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why-conquest.rst
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Documentation for projected DOS
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2023-05-09 15:02:11 +01:00 |
c27c0681f7
