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bootstrap: add xcif to other builders
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#167:
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bootstrap: add xcif to other builders
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Prepare branch for DIALS 3.30 release
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Prepare branch for DIALS 3.30 release
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Prepare branch for DIALS 3.30 release
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Prepare branch for DIALS 3.30 release
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Prepare branch for DIALS 3.30 release
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Prepare branch for DIALS 3.30 release
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Add a Hessian runtype to xtb_manager (#1210)
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Add a Hessian runtype to xtb_manager (#1210)
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attempts to get back to this..
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attempts to get back to this..
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Preserve scattering table in case of pickling
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Preserve scattering table in case of pickling
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adjusted scaking; mmcif support; 1/d3 binnier
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adjusted scaking; mmcif support; 1/d3 binnier
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Proper test of ncs presence - if the ncs search was run but found not…
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Proper test of ncs presence - if the ncs search was run but found not…
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reference_model: turn side_chain off by default, adjusting tests.
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reference_model: turn side_chain off by default, adjusting tests.
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improve debugging
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improve debugging
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major changes for V3 NA names
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major changes for V3 NA names
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Use default RHF for closed-shell singlets in MOPAC input. (#1205)
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