cp2k/data at master · cp2k/cp2k · GitHub

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Allegro		Allegro
DFTB		DFTB
DeePMD		DeePMD
NNP		NNP
NequIP		NequIP
forcefield_section		forcefield_section
ri_rs_grid		ri_rs_grid
xc_section		xc_section
ALL_BASIS_SETS		ALL_BASIS_SETS
ALL_POTENTIALS		ALL_POTENTIALS
AcPP1_POTENTIALS		AcPP1_POTENTIALS
AcPP2_POTENTIALS		AcPP2_POTENTIALS
BASIS_ADMM		BASIS_ADMM
BASIS_ADMM_MOLOPT		BASIS_ADMM_MOLOPT
BASIS_ADMM_UZH		BASIS_ADMM_UZH
BASIS_ADMM_ae		BASIS_ADMM_ae
BASIS_AUG_MOLOPT		BASIS_AUG_MOLOPT
BASIS_LRIGPW_AUXMOLOPT		BASIS_LRIGPW_AUXMOLOPT
BASIS_MINBAS		BASIS_MINBAS
BASIS_MINIX		BASIS_MINIX
BASIS_MOLOPT		BASIS_MOLOPT
BASIS_MOLOPT_AcPP1		BASIS_MOLOPT_AcPP1
BASIS_MOLOPT_AcPP2		BASIS_MOLOPT_AcPP2
BASIS_MOLOPT_LnPP1		BASIS_MOLOPT_LnPP1
BASIS_MOLOPT_LnPP2		BASIS_MOLOPT_LnPP2
BASIS_MOLOPT_PSI		BASIS_MOLOPT_PSI
BASIS_MOLOPT_UCL		BASIS_MOLOPT_UCL
BASIS_MOLOPT_UZH		BASIS_MOLOPT_UZH
BASIS_PERIODIC_GW		BASIS_PERIODIC_GW
BASIS_RI_AUG_MOLOPT		BASIS_RI_AUG_MOLOPT
BASIS_RI_MOLOPT		BASIS_RI_MOLOPT
BASIS_RI_cc-TZ		BASIS_RI_cc-TZ
BASIS_SET		BASIS_SET
BASIS_TB_AE		BASIS_TB_AE
BASIS_TB_UZH		BASIS_TB_UZH
BASIS_ZIJLSTRA		BASIS_ZIJLSTRA
BASIS_ccGRB_UZH		BASIS_ccGRB_UZH
BASIS_def2_QZVP_RI_ALL		BASIS_def2_QZVP_RI_ALL
BASIS_pob		BASIS_pob
ECP_POTENTIALS		ECP_POTENTIALS
ECP_POTENTIALS_pob-TZVP-rev2		ECP_POTENTIALS_pob-TZVP-rev2
EMSL_BASIS_SETS		EMSL_BASIS_SETS
GTH_BASIS_SETS		GTH_BASIS_SETS
GTH_POTENTIALS		GTH_POTENTIALS
GTH_SOC_POTENTIALS		GTH_SOC_POTENTIALS
HFX_BASIS		HFX_BASIS
HF_POTENTIALS		HF_POTENTIALS
LnPP1_POTENTIALS		LnPP1_POTENTIALS
LnPP2_POTENTIALS		LnPP2_POTENTIALS
MM_POTENTIAL		MM_POTENTIAL
MPC_POTENTIALS		MPC_POTENTIALS
NLCC_POTENTIALS		NLCC_POTENTIALS
NUCLEAR_BASIS_SETS		NUCLEAR_BASIS_SETS
POTENTIAL		POTENTIAL
POTENTIAL_UZH		POTENTIAL_UZH
README.md		README.md
dftd3.dat		dftd3.dat
nm12_parameters.xml		nm12_parameters.xml
rVV10_kernel_table.dat		rVV10_kernel_table.dat
t_c_g.dat		t_c_g.dat
t_sh_p_s_c.dat		t_sh_p_s_c.dat
vdW_kernel_table.dat		vdW_kernel_table.dat
xTB0_parameters		xTB0_parameters
xTB1_parameters		xTB1_parameters
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README.md

Curated Collection of Parameter Data Files

Note that some files are copies of other. Please run make data to reconcile.

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Curated Collection of Parameter Data Files

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Curated Collection of Parameter Data Files

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