vijay gopal chilkuri
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55d749f5c6
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First a function to take the derivative vs e coords. #17
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2021-06-01 13:00:26 +05:30 |
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vijay gopal chilkuri
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59f284d765
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Added variables and doc for derivatives of ee_distance_rescaled. #17
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2021-06-01 10:31:26 +05:30 |
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vijay gopal chilkuri
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43197f390a
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Changed variable kappa etc to rescaled_factor_kappa. #15
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2021-05-26 13:32:48 +05:30 |
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vijay gopal chilkuri
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7f9117434d
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Finished adding all rescaled distances. Need to add tests. #15
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2021-05-26 13:03:54 +05:30 |
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vijay gopal chilkuri
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c02d8871d8
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Function to calculate rescaled distances for elec-nucl. #15
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2021-05-26 12:52:28 +05:30 |
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vijay gopal chilkuri
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ef51934c7c
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Added kappa (distance rescale factor) to electron and nucleus structs along with tests. #15
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2021-05-26 11:59:03 +05:30 |
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2bbef647f5
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No bugs with Clang static analyzer
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2021-05-19 22:49:32 +02:00 |
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bbb6fac5db
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Added cppcheck
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2021-05-19 01:49:41 +02:00 |
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16595f898b
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Fixed Makefile
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2021-05-19 01:35:34 +02:00 |
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1504330500
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Added 'N' and 'T' in coord
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2021-05-19 00:28:56 +02:00 |
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d78890e31b
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Added eN distances
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2021-05-18 12:32:28 +02:00 |
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f2b109e14b
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Added nucleus
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2021-05-16 01:31:08 +02:00 |
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0fea378698
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Improve electron module
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2021-05-15 23:19:13 +02:00 |
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ee9e3c5b55
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Removed need for munit
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2021-05-11 16:47:22 +02:00 |
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d4711206f0
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Introduced qmckl.h in org files
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2021-05-11 13:57:23 +02:00 |
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c61556ef77
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Working on automake
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2021-05-11 11:45:49 +02:00 |
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