Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility#262
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ShubhangKrishnakantTrivedi875 wants to merge 89 commits intoSPARC-X:masterfrom
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Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility#262ShubhangKrishnakantTrivedi875 wants to merge 89 commits intoSPARC-X:masterfrom
ShubhangKrishnakantTrivedi875 wants to merge 89 commits intoSPARC-X:masterfrom
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added a function to calculate Lattice angles, reciprocal lattice vectors, etc for initial set up in NPT_NP and NPH dynamics
updated_MD
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
Update_NPT_NP_dynamics_and_add_NPH_full_cell_flexibility
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Updated the NPT_NP dynamics to allow full cell flexibility (allowing changing of angles), and added NPH dynamics with full cell flexibility