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An error in PME energy calculation is corrected. MDArean#ewald_order is implemented.
authortoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Mon, 19 Nov 2012 11:03:17 +0000 (11:03 +0000)
committertoshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Mon, 19 Nov 2012 11:03:17 +0000 (11:03 +0000)
commit7ca3626395d97131b93eb93698b9b96ae9cd754d
treea33bccd59319a45dc358d9993ee42e81c7714ddb
parentf30b09f283253ab315e53ff7b30d05c52b79804a
An error in PME energy calculation is corrected. MDArean#ewald_order is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@339 a2be9bc6-48de-4e38-9406-05402d4bc13c
MolLib/MD/MDCore.c
MolLib/MD/MDCore.h
MolLib/MD/MDEwald.c
MolLib/Ruby_bind/ruby_bind.c
MolLib/Ruby_bind/ruby_md.c