Marek Nečada
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bf297c11c3
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Alternative approach in recursive "Delta" to avoid overflows.
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2020-07-21 05:07:23 +03:00 |
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Marek Nečada
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975d23b557
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Branch selection for Δ_n in Ewald sum
Former-commit-id: 6c3d6e6aa9010bb66975f65397b8a061fac1b5ef
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2020-05-28 13:13:08 +03:00 |
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Marek Nečada
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c50f40a747
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Implementation of the Δ_n factor as a series; error estimates.
The error estimate for the recurrence approach is buggy.
Former-commit-id: f5183eaacf6a592461f07f72e04d346a42f9fca6
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2020-05-27 15:52:13 +03:00 |
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Marek Nečada
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c056099d5a
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Fix signs in the lattice sum Delta (recurrent formula)
Former-commit-id: 9cb3df31e5a8b6395252454a0b85f6ce3459a781
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2020-05-26 20:25:04 +03:00 |
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Marek Nečada
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85dbf79caa
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WIP 2D-in-3D Ewald sum for z != 0
Not tested; error estimates not yet implemented.
Former-commit-id: d6886f64eb8b7e137abf6f187f8cd75f21a5f591
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2020-05-19 17:10:00 +03:00 |
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Marek Nečada
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4dd3234b0a
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Remove the branch cut at negative real axis in Ewald sum.
Move the cut to the negative imaginary axis instead.
Also update comments.
Former-commit-id: a70e6a4db0ac33836d672d9ee2356ea19a899a30
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2019-10-09 13:20:20 +03:00 |
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Marek Nečada
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e7f0e0131f
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Basic branch selection functionality for incomplete Γ.
No modifications with effects on Ewald sums done yet.
Former-commit-id: e362341713ce306482386b9e6f2a48c336fad7a1
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2019-10-06 01:30:29 +03:00 |
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Marek Nečada
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2dd9fe2f34
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Minor stuff.
Former-commit-id: c0de35f6a52ce4cc4f34cf4b417364d92e8dac4d
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2019-10-05 20:38:04 +03:00 |
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Marek Nečada
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ad3d2d8071
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Fix incomplete gamma via continued fractions for complex z.
Former-commit-id: 13ae61b958919bfcca2d3828bc7d38b0b6cbf77b
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2019-08-20 17:31:43 +03:00 |
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Marek Nečada
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a66f04a8c2
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Continuos fractions for incomplete gamma, extending the domain a bit.
Former-commit-id: 838b5bd6c34d37348253aa21f45bb7601c8a6abb
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2019-08-19 16:54:44 +03:00 |
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Marek Nečada
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3972f0a2e3
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ewald.c fix new init memory management.
Former-commit-id: 582e34027bad4bd1ee017886d3dc2120a8c0bf3c
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2018-12-11 11:09:38 +00:00 |
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Marek Nečada
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0c55595d08
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Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested
Former-commit-id: 2a9b972dc012401c08758ee768667dfd3a3882c4
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2018-11-24 12:51:57 +00:00 |
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Marek Nečada
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e204242817
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Fix branch selection in long-range ewald sum.
Now everything is consistent except for sigma0
Former-commit-id: 86132a0db0604ed8c56f725eb95c5b22a103b804
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2018-09-13 01:16:13 +03:00 |
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Marek Nečada
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70f1a0a67a
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Hypergeometric 2F2 for calculating lattice sum errors
Former-commit-id: eac72db084c3b3bd387115255590df4269aca76f
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2018-09-11 10:07:37 +03:00 |