Jeongnim Kim
|
7d31a87a7f
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@51 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 20:47:17 +00:00 |
qmc
|
3ac9295ef5
|
fixed spelling
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@50 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 17:50:28 +00:00 |
qmc
|
cb9f0dbbd9
|
changed function ke to k2
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@49 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 17:48:09 +00:00 |
qmc
|
ef0c909996
|
changed function ke(int i) to k2(int i)
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@48 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 17:47:11 +00:00 |
qmc
|
8dec7c4b09
|
update documentation
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@47 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 17:46:43 +00:00 |
qmc
|
e81bd0161a
|
updated output
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@46 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 17:39:54 +00:00 |
qmc
|
cd7655c46e
|
changed implementation of put function
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@45 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-20 17:39:14 +00:00 |
qmc
|
bb710f0fb9
|
updated documentation
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@44 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-15 23:05:20 +00:00 |
qmc
|
8b61275799
|
updated documentation
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@43 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-15 06:22:19 +00:00 |
qmc
|
b5e5535b37
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@42 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-15 06:21:41 +00:00 |
qmc
|
b17d4cdf3b
|
eliminated blitz, now use a vector to represent cg coefficients
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@41 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-15 06:00:58 +00:00 |
Jeongnim Kim
|
b8531ec878
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@40 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-14 19:57:14 +00:00 |
Jeongnim Kim
|
5ddee6bdcc
|
Simplified cmake file for AtomicHF.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@39 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-14 19:27:12 +00:00 |
Jeongnim Kim
|
e2ab2a0f5e
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@38 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-14 18:39:25 +00:00 |
Jeongnim Kim
|
b2f2c88ac0
|
Make HDF5 optional.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@37 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-14 18:27:50 +00:00 |
Jeongnim Kim
|
514b48a4a9
|
Changes: potential -> hamiltonian
rest_type -> condition
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@36 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-14 18:03:53 +00:00 |
qmc
|
d987ffed44
|
changed formatting for "orb.dat" file
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@35 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-13 18:22:06 +00:00 |
qmc
|
4d5e1471ee
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@34 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-13 18:21:42 +00:00 |
qmc
|
46150cbcf8
|
fixed formatting for output
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@33 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-13 18:13:21 +00:00 |
qmc
|
1c0381c967
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@32 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-13 16:55:07 +00:00 |
Jeongnim Kim
|
411d822019
|
Addition for intel compilers and blitz.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@31 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-10 21:11:16 +00:00 |
qmc
|
519c76162a
|
added output messages
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@30 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-03 23:01:52 +00:00 |
qmc
|
923edf71bb
|
updated documentation
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@29 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-03 22:58:58 +00:00 |
qmc
|
f7c92c16aa
|
added new core polarization
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@28 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-03 22:57:06 +00:00 |
qmc
|
9e54f5bf6f
|
changed output file name for orbitals
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@27 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-03 17:31:28 +00:00 |
qmc
|
9acfe04acb
|
fixed bug where the wavefunction wasn't reset after every HF run
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@26 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 21:03:31 +00:00 |
qmc
|
7a119e58a3
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@25 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 21:00:40 +00:00 |
qmc
|
f3370c7b9e
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@24 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 19:57:34 +00:00 |
qmc
|
b0d6e0c596
|
now return values of SCF potentials
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@23 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 19:57:11 +00:00 |
qmc
|
378efe9a45
|
added getStorage
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@22 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 19:56:40 +00:00 |
qmc
|
1443d99bd7
|
added storage container for accessing matrix elements <ij|V|ij> and <ij|V|ji>
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@21 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 19:56:11 +00:00 |
qmc
|
f83f2f8837
|
changed reset()
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@20 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 18:52:39 +00:00 |
qmc
|
49ccb646d2
|
removed NumOrb
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@19 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-09-02 18:52:11 +00:00 |
qmc
|
6865c9b840
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@18 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-30 18:57:55 +00:00 |
qmc
|
c9a487f6b5
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@17 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-29 18:42:31 +00:00 |
qmc
|
08b70a1816
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@16 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-28 21:17:58 +00:00 |
Jeongnim Kim
|
b4a2cb54d7
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@15 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-26 21:54:16 +00:00 |
qmc
|
3f1b964742
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@14 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-26 05:21:44 +00:00 |
qmc
|
724b3dd210
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@13 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-26 05:11:42 +00:00 |
qmc
|
04a50273cc
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@12 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-26 04:27:50 +00:00 |
qmc
|
e8c3b565e4
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@11 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-26 03:17:29 +00:00 |
qmc
|
2d929e6d0c
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@10 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-25 22:29:36 +00:00 |
qmc
|
d1dd9b432d
|
*** empty log message ***
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@9 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-25 17:19:18 +00:00 |
Jeongnim Kim
|
4dcdd476f2
|
Importing SQD and PseudoGen packages.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@8 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-24 22:15:56 +00:00 |
Jeongnim Kim
|
cb7d66f5af
|
Initial revision
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@4 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-24 19:21:10 +00:00 |
(no
|
47ef55c27a
|
New repository initialized by cvs2svn.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@3 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2004-08-24 19:21:10 +00:00 |
www-data
|
8b1f693817
|
Automatically created /trunk directory. We recommend you to put all your code there.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@1 e5b18d87-469d-4833-9cc0-8cdfa06e9491
|
2011-01-11 01:20:24 +00:00 |