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(parent: 87af648) | patch
The order of the anisotropic thermal parameters is changed to 'b11, b22, b33, b12...
authortoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Mon, 4 Jun 2012 14:46:18 +0000 (14:46 +0000)
committertoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Mon, 4 Jun 2012 14:46:18 +0000 (14:46 +0000)
commit8e10c55763782b7a61b13f38681544e6138ce7ef
treeb6972ed8f5d2f5bac1c0fc069a083305c3145fdbtree | snapshot
parent87af648b74d3f0029612ff1e3de769d18833c14ccommit | diff
The order of the anisotropic thermal parameters is changed to 'b11, b22, b33, b12, b13, b23'. Inconsistency in some of the codes is fixed. TODO: when symmetry expansion is done, the anisotropic thermal parameters are not correctly converted.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@207 a2be9bc6-48de-4e38-9406-05402d4bc13c
MolLib/Molecule.c diff | blob | history
MolLib/Molecule.h diff | blob | history
MolLib/Ruby_bind/ruby_bind.c diff | blob | history
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