iasonmanolas
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8391646d56
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Average residual forces norm. Alpha angles stored in vectors. Residual forces criterion applicable not only at local kinetic energy maxima
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2021-07-14 19:17:02 +03:00 |
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iasonmanolas
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5ebf354dcf
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Refactoring
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2021-07-12 23:53:04 +03:00 |
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iasonmanolas
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2509b0a795
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Added code for exporting pe.gradual application of external forces. average residual forces threshold
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2021-07-07 22:43:44 +03:00 |
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iasonmanolas
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a8b361f859
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Reusing initial version. reset residual force convergence to percentage
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2021-07-01 02:45:03 +03:00 |
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iasonmanolas
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a58414892c
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Refactoring
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2021-06-30 10:28:13 +03:00 |
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iasonmanolas
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3e3d32399b
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Refacoring. Drm has res forces norm threshold 1e-3
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2021-06-24 10:02:20 +03:00 |
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iasonmanolas
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8793dc5408
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Refactoring
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2021-05-24 14:43:32 +03:00 |
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iasonmanolas
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55def2cfd5
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Refactoring
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2021-04-30 13:13:58 +03:00 |
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iasonmanolas
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e6fe102574
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Refactoring, linear model, renaming
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2021-04-08 21:03:23 +03:00 |